NP-MRD: Showing NP-Card for Kinetensin 4-7 (NP0339137)

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Record Information

Version

2.0

Created at

2024-09-11 19:51:31 UTC

Updated at

2024-09-11 19:51:31 UTC

NP-MRD ID

NP0339137

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Kinetensin 4-7

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02251208132D          

 41 43  0  0  1  0            999 V2000
   15.4285  -20.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2831  -18.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6439  -21.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0281  -18.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522  -16.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8377  -15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8377  -16.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233  -15.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0416  -21.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1081  -18.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5454  -18.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4706  -17.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5774  -16.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522  -15.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7169  -17.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233  -16.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0308  -20.5798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7608  -18.4138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9811  -15.5693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6956  -17.6318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2024  -19.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956  -16.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1477  -17.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956  -15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4394  -21.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2462  -20.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2678  -22.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2240  -21.4711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3843  -16.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8262  -21.1740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1649  -16.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5893  -19.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9811  -16.3943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3630  -18.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087  -16.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9870  -19.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4101  -16.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192  -17.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4101  -15.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956  -14.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 15  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7 17  2  0  0  0  0
  8 17  1  0  0  0  0
  9 31  1  0  0  0  0
 10 35  1  0  0  0  0
 20 11  1  6  0  0  0
 11 15  1  0  0  0  0
 19 12  1  6  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 30  1  0  0  0  0
 14 32  2  0  0  0  0
 16 32  1  0  0  0  0
 17 36  1  0  0  0  0
 18 27  1  1  0  0  0
 18 22  1  0  0  0  0
 19 33  1  0  0  0  0
 19 24  1  0  0  0  0
 20 34  1  0  0  0  0
 20 25  1  0  0  0  0
 21 35  1  0  0  0  0
 21 23  1  6  0  0  0
 22 37  2  0  0  0  0
 22 33  1  0  0  0  0
 23 38  2  0  0  0  0
 23 34  1  0  0  0  0
 24 39  2  0  0  0  0
 24 35  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  2  0  0  0  0
 26 31  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
M  END


  Mrv0541 02251208132D          

 41 43  0  0  1  0            999 V2000
   15.4285  -20.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2831  -18.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6439  -21.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0281  -18.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522  -16.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8377  -15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8377  -16.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233  -15.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0416  -21.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1081  -18.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667  -15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5454  -18.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4706  -17.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5774  -16.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522  -15.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7169  -17.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233  -16.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0308  -20.5798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7608  -18.4138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9811  -15.5693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6956  -17.6318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2024  -19.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956  -16.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1477  -17.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956  -15.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4394  -21.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2462  -20.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2678  -22.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2240  -21.4711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3843  -16.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8262  -21.1740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1649  -16.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5893  -19.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9811  -16.3943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3630  -18.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4087  -16.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9870  -19.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4101  -16.3943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192  -17.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4101  -15.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956  -14.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 15  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7 17  2  0  0  0  0
  8 17  1  0  0  0  0
  9 31  1  0  0  0  0
 10 35  1  0  0  0  0
 20 11  1  6  0  0  0
 11 15  1  0  0  0  0
 19 12  1  6  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 30  1  0  0  0  0
 14 32  2  0  0  0  0
 16 32  1  0  0  0  0
 17 36  1  0  0  0  0
 18 27  1  1  0  0  0
 18 22  1  0  0  0  0
 19 33  1  0  0  0  0
 19 24  1  0  0  0  0
 20 34  1  0  0  0  0
 20 25  1  0  0  0  0
 21 35  1  0  0  0  0
 21 23  1  6  0  0  0
 22 37  2  0  0  0  0
 22 33  1  0  0  0  0
 23 38  2  0  0  0  0
 23 34  1  0  0  0  0
 24 39  2  0  0  0  0
 24 35  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  2  0  0  0  0
 26 31  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0339137

> <DATABASE_NAME>
NP-MRD

> <SMILES>
N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H37N9O6/c27-18(3-1-9-31-26(28)29)22(37)33-19(12-16-13-30-14-32-16)24(39)35-10-2-4-21(35)23(38)34-20(25(40)41)11-15-5-7-17(36)8-6-15/h5-8,13-14,18-21,36H,1-4,9-12,27H2,(H,30,32)(H,33,37)(H,34,38)(H,40,41)(H4,28,29,31)/t18-,19+,20-,21-/m1/s1

> <INCHI_KEY>
NKRLKOMBOSWILK-PLACYPQZSA-N

> <FORMULA>
C26H37N9O6

> <MOLECULAR_WEIGHT>
571.6287

> <EXACT_MASS>
571.286679961

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
57.12844665685902

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-{[(2R)-1-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

> <ALOGPS_LOGP>
-2.01

> <JCHEM_LOGP>
-3.6944014971290615

> <ALOGPS_LOGS>
-3.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.51089448724992

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.234864599739441

> <JCHEM_PKA_STRONGEST_BASIC>
11.844867104689481

> <JCHEM_POLAR_SURFACE_AREA>
252.63999999999996

> <JCHEM_REFRACTIVITY>
157.1003000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-{[(2R)-1-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0      28.800 -38.970   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      21.062 -35.282   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      27.335 -39.446   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.586 -33.818   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.831 -30.603   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.497 -28.293   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.497 -31.373   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.163 -29.063   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      29.944 -40.001   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.602 -35.282   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      19.165 -28.293   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      27.151 -33.896   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      28.878 -31.764   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      27.211 -29.912   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.831 -29.063   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.472 -32.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.163 -30.603   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      26.191 -38.416   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      25.687 -34.372   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.498 -29.063   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      21.832 -32.913   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      26.511 -36.909   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      21.832 -31.373   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      24.542 -33.342   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.832 -28.293   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      32.554 -40.555   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      24.726 -38.891   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0      32.233 -42.062   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0      34.018 -40.079   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0      28.717 -30.232   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0      31.409 -39.525   0.000  0.00  0.00           N+0
HETATM   32  N   UNK     0      26.441 -31.246   0.000  0.00  0.00           N+0
HETATM   33  N   UNK     0      25.367 -35.879   0.000  0.00  0.00           N+0
HETATM   34  N   UNK     0      20.498 -30.603   0.000  0.00  0.00           N+0
HETATM   35  N   UNK     0      23.078 -33.818   0.000  0.00  0.00           N+0
HETATM   36  O   UNK     0      13.830 -31.373   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      27.976 -36.433   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      23.166 -30.603   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      24.863 -31.836   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      23.166 -29.063   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      21.832 -26.753   0.000  0.00  0.00           O+0
CONECT    1    3    9                                                       
CONECT    2   10    4                                                       
CONECT    3    1   18                                                       
CONECT    4    2   21                                                       
CONECT    5   15    7                                                       
CONECT    6    8   15                                                       
CONECT    7    5   17                                                       
CONECT    8    6   17                                                       
CONECT    9    1   31                                                       
CONECT   10    2   35                                                       
CONECT   11   20   15                                                       
CONECT   12   19   16                                                       
CONECT   13   16   30                                                       
CONECT   14   30   32                                                       
CONECT   15    5    6   11                                                  
CONECT   16   12   13   32                                                  
CONECT   17    7    8   36                                                  
CONECT   18    3   27   22                                                  
CONECT   19   12   33   24                                                  
CONECT   20   11   34   25                                                  
CONECT   21    4   35   23                                                  
CONECT   22   18   37   33                                                  
CONECT   23   21   38   34                                                  
CONECT   24   19   39   35                                                  
CONECT   25   20   40   41                                                  
CONECT   26   31   28   29                                                  
CONECT   27   18                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
CONECT   30   13   14                                                       
CONECT   31    9   26                                                       
CONECT   32   14   16                                                       
CONECT   33   19   22                                                       
CONECT   34   20   23                                                       
CONECT   35   10   21   24                                                  
CONECT   36   17                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40   25                                                            
CONECT   41   25                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

View in JSmol

Synonyms

Value	Source
KT(4-7)	HMDB

Chemical Formula

C₂₆H₃₇N₉O₆

Average Mass

571.6287 Da

Monoisotopic Mass

571.28668 Da

IUPAC Name

(2R)-2-{[(2R)-1-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

Traditional Name

(2R)-2-{[(2R)-1-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

CAS Registry Number

Not Available

SMILES

N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C26H37N9O6/c27-18(3-1-9-31-26(28)29)22(37)33-19(12-16-13-30-14-32-16)24(39)35-10-2-4-21(35)23(38)34-20(25(40)41)11-15-5-7-17(36)8-6-15/h5-8,13-14,18-21,36H,1-4,9-12,27H2,(H,30,32)(H,33,37)(H,34,38)(H,40,41)(H4,28,29,31)/t18-,19+,20-,21-/m1/s1

InChI Key

NKRLKOMBOSWILK-PLACYPQZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
Histidine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Proline or derivatives
Alpha-amino acid amide
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
N-acylpyrrolidine
Imidazolyl carboxylic acid derivative
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Phenol
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Fatty acyl
Fatty amide
N-acyl-amine
Benzenoid
Pyrrolidine
Heteroaromatic compound
Azole
Tertiary carboxylic acid amide
Imidazole
Amino acid or derivatives
Amino acid
Secondary carboxylic acid amide
Carboxamide group
Guanidine
Azacycle
Organoheterocyclic compound
Carboxylic acid
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Monocarboxylic acid or derivatives
Organopnictogen compound
Amine
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Organic oxide
Primary amine
Primary aliphatic amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-2	ALOGPS
logP	-3.7	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	3.23	ChemAxon
pKa (Strongest Basic)	11.84	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	252.64 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	157.1 m³·mol⁻¹	ChemAxon
Polarizability	57.13 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB029233

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481567

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Kinetensin 4-7 (NP0339137)

MOL for NP0339137 (Kinetensin 4-7)

3D MOL for NP0339137 (Kinetensin 4-7)

3D SDF for NP0339137 (Kinetensin 4-7)

3D-SDF for NP0339137 (Kinetensin 4-7)

PDB for NP0339137 (Kinetensin 4-7)

3D PDB for NP0339137 (Kinetensin 4-7)

SMILES for NP0339137 (Kinetensin 4-7)

INCHI for NP0339137 (Kinetensin 4-7)

Structure for NP0339137 (Kinetensin 4-7)

3D Structure for NP0339137 (Kinetensin 4-7)