NP-MRD: Showing NP-Card for 5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid (NP0200530)

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Record Information

Version

2.0

Created at

2022-09-04 19:23:38 UTC

Updated at

2022-09-04 19:23:38 UTC

NP-MRD ID

NP0200530

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid

Description

SCHEMBL12427457 belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. Naphthyridine carboxylic acids and derivatives are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. SCHEMBL12427457 is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 49  0  0  0  0  0  0  0  0999 V2000
    4.8746    1.5379    0.8792 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2392    0.7224   -0.1568 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8077    0.4713    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1166   -0.3499   -0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6932   -0.6127   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -1.8538   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906   -2.1786    0.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792   -3.4614   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035   -3.8424   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7251   -2.9463    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973   -1.4857    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270   -1.2068    0.6632 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6061    0.2141    0.3831 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6725    0.9001   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3921    2.3579   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9519    2.7313   -0.5661 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6964    3.3667    0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644    2.9479    1.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    4.4656    1.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356    1.6168   -0.6955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2984    0.4401   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0354   -0.5076   -0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8356   -1.3625   -1.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249   -0.7555    0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802    1.4810    1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8706    1.2935    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2959    1.3097   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527    1.4988    0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405    0.0479    1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6111   -1.3218   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1571    0.1994   -1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.6509   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8816   -4.1551   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1291   -4.8430   -0.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7341   -3.2253    1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7518   -3.1639    0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7805   -1.1742   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463   -0.9129    1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514   -1.3650    1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5788    0.8348    1.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6605    0.7915    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766    0.4597   -1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073    2.6992   -1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963    2.9391    0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7043    3.4711   -1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4870    5.2641    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757   -0.6865    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 20  1  0
 20 21  2  0
 16 17  1  0
 17 19  1  0
 17 18  2  0
  2 22  1  0
 22 24  1  0
 22 23  2  0
 21  5  1  0
 12  7  1  0
 21 13  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  1
 13 40  1  1
 14 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  6
 19 46  1  0
 24 47  1  0
M  END


  Mrv0541 04121521062D          

 24 26  0  0  0  0            999 V2000
    4.2868    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  5 18  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0200530

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(CCC1=CN2C=CCCC2C2CCC(N=C12)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H23N3O4/c18-12(16(21)22)6-4-10-9-20-8-2-1-3-14(20)11-5-7-13(17(23)24)19-15(10)11/h2,8-9,11-14H,1,3-7,18H2,(H,21,22)(H,23,24)

> <INCHI_KEY>
OJUMAFDYWJDVPA-UHFFFAOYSA-N

> <FORMULA>
C17H23N3O4

> <MOLECULAR_WEIGHT>
333.388

> <EXACT_MASS>
333.168856233

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.58079493323903

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(3-amino-3-carboxypropyl)-1H,2H,3H,10H,11H,11aH,11bH-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid

> <ALOGPS_LOGP>
-1.72

> <JCHEM_LOGP>
-3.704969156399673

> <ALOGPS_LOGS>
-3.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.468455678381539

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7364610872063726

> <JCHEM_PKA_STRONGEST_BASIC>
9.531958593810531

> <JCHEM_POLAR_SURFACE_AREA>
116.22000000000001

> <JCHEM_REFRACTIVITY>
87.79539999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.01e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(3-amino-3-carboxypropyl)-1H,2H,3H,10H,11H,11aH,11bH-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-APR-15         0                                  
HETATM    1  N   UNK     0       8.002   1.540   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.669   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7   13                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17    5   13                                                  
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    2   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
5-(3-Amino-3-carboxypropyl)-1H,2H,3H,10H,11H,11ah,11BH-pyrido[2,1-F]1,6-naphthyridine-3-carboxylate	Generator

Chemical Formula

C₁₇H₂₃N₃O₄

Average Mass

333.3880 Da

Monoisotopic Mass

333.16886 Da

IUPAC Name

5-(3-amino-3-carboxypropyl)-1H,2H,3H,10H,11H,11aH,11bH-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid

Traditional Name

5-(3-amino-3-carboxypropyl)-1H,2H,3H,10H,11H,11aH,11bH-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid

CAS Registry Number

Not Available

SMILES

NC(CCC1=CN2C=CCCC2C2CCC(N=C12)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C17H23N3O4/c18-12(16(21)22)6-4-10-9-20-8-2-1-3-14(20)11-5-7-13(17(23)24)19-15(10)11/h2,8-9,11-14H,1,3-7,18H2,(H,21,22)(H,23,24)

InChI Key

OJUMAFDYWJDVPA-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. Naphthyridine carboxylic acids and derivatives are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Naphthyridines

Direct Parent

Naphthyridine carboxylic acids and derivatives

Alternative Parents

Substituents

Naphthyridine carboxylic acid
Alpha-amino acid
Alpha-amino acid or derivatives
Heterocyclic fatty acid
Tetrahydropyridine
Dicarboxylic acid or derivatives
Fatty acyl
Amino acid or derivatives
Amino acid
Ketimine
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Carboxylic acid
Allylamine
Enamine
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Imine
Hydrocarbon derivative
Amine
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Primary aliphatic amine
Carbonyl group
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	-1.7	ALOGPS
logP	-3.7	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	1.74	ChemAxon
pKa (Strongest Basic)	9.53	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	116.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	87.8 m³·mol⁻¹	ChemAxon
Polarizability	35.58 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

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

45274234

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid (NP0200530)

MOL for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

3D MOL for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

3D SDF for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

3D-SDF for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

PDB for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

3D PDB for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

SMILES for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

INCHI for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

Structure for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)

3D Structure for NP0200530 (5-(3-amino-3-carboxypropyl)-1h,2h,3h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid)