NP-MRD: Showing NP-Card for n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine (NP0181852)

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Record Information

Version

2.0

Created at

2022-09-03 20:26:51 UTC

Updated at

2022-09-03 20:26:51 UTC

NP-MRD ID

NP0181852

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine

Description

N-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene}propyl)guanidine belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine is found in Parazoanthus axinellae. N-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxo-4,5-dihydro-1H-imidazol-4-ylidene}propyl)guanidine is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -5.6120    0.2329    3.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1118   -0.5945    2.6182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9999   -0.8992    1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6875   -2.0256    0.8832 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1948   -0.1138    0.5286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6714    0.1808   -0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6654    1.0349   -1.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901    0.3017   -1.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2782    0.8161   -1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985    2.0423   -0.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    2.1816   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440    3.1638    0.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006    1.0277   -0.5069 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    0.8081   -0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0247   -0.2629   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -0.4452   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0888   -1.6013   -0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4308   -1.8367   -0.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2115   -0.9168   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5561   -1.1822    0.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442   -0.2370    0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6236    0.2290    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2534    0.4532    0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9433    0.1952   -1.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7332   -0.9226   -1.7014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0146   -2.7961    1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8740   -2.0899   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2896    0.2407    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6608    0.6790   -0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7131   -0.7936   -1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0699    1.0963   -2.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783    2.0486   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3679   -0.6538   -2.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8852    2.7204   -0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282    1.5778    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993   -1.0586   -1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444   -2.3162   -1.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8668   -2.7602   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379   -0.4657    0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1587    0.7618    0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0931   -0.1600    1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2034    0.9664    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104    1.3736    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  1  0
 19 18  2  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
 15 14  2  0
 14 13  1  0
 13 11  1  0
 11 12  2  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  9 24  1  0
 24 25  2  0
 16 23  1  0
 23 22  2  0
 22 19  1  0
 24 13  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
 18 38  1  0
 17 37  1  0
 15 36  1  0
 14 35  1  0
 10 34  1  0
  8 33  1  0
  7 31  1  0
  7 32  1  0
  6 29  1  0
  6 30  1  0
  5 28  1  0
  4 26  1  0
  4 27  1  0
  2  1  1  0
 23 43  1  0
 22 42  1  0
M  END


  Mrv1533004251508342D          

 24 25  0  0  0  0            999 V2000
   -5.8963    6.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5607    7.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7402    7.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4047    8.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5842    8.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0993    7.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788    7.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939    7.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9734    7.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609    8.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    8.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461    7.8911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468    6.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4757    6.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902    7.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047    6.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    7.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047    5.8331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214    6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    5.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4348    7.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2553    7.0032    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  4  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  2  0  0  0  0
  6 23  1  0  0  0  0
 23 24  2  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0181852

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=CN2C(=O)NC(=CCCNC(N)=N)C2=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H19N5O3/c1-24-12-6-4-11(5-7-12)8-10-21-14(22)13(20-16(21)23)3-2-9-19-15(17)18/h3-8,10H,2,9H2,1H3,(H,20,23)(H4,17,18,19)

> <INCHI_KEY>
OIBAUBRNXIHMBQ-UHFFFAOYSA-N

> <FORMULA>
C16H19N5O3

> <MOLECULAR_WEIGHT>
329.36

> <EXACT_MASS>
329.148789492

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
35.41492959912203

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(3-{1-[2-(4-methoxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene}propyl)guanidine

> <ALOGPS_LOGP>
0.96

> <JCHEM_LOGP>
-1.0741500282546477

> <ALOGPS_LOGS>
-3.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.545693128008141

> <JCHEM_PKA_STRONGEST_BASIC>
12.141382283133682

> <JCHEM_POLAR_SURFACE_AREA>
120.53999999999999

> <JCHEM_REFRACTIVITY>
101.35490000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(3-{1-[2-(4-methoxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene}propyl)guanidine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0     -11.006  12.751   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0     -10.380  14.158   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -8.848  14.319   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.222  15.725   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.691  15.886   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.785  14.640   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.254  14.801   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.349  13.556   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -1.817  13.717   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -1.047  15.050   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.673  16.457   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       0.459  14.730   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       0.620  13.198   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.954  12.428   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.288  13.198   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.621  12.428   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       5.955  13.198   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       7.289  12.428   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       8.622  13.198   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       7.289  10.888   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -0.787  12.572   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.107  11.066   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -6.412  13.234   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -7.943  13.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   24                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   23                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   13    9   22                                                  
CONECT   22   21                                                            
CONECT   23    6   24                                                       
CONECT   24   23    3                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₉N₅O₃

Average Mass

329.3600 Da

Monoisotopic Mass

329.14879 Da

IUPAC Name

N-(3-{1-[2-(4-methoxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene}propyl)guanidine

Traditional Name

N-(3-{1-[2-(4-methoxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-ylidene}propyl)guanidine

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=CN2C(=O)NC(=CCCNC(N)=N)C2=O)C=C1

InChI Identifier

InChI=1S/C16H19N5O3/c1-24-12-6-4-11(5-7-12)8-10-21-14(22)13(20-16(21)23)3-2-9-19-15(17)18/h3-8,10H,2,9H2,1H3,(H,20,23)(H4,17,18,19)

InChI Key

OIBAUBRNXIHMBQ-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

Species Name	Source	Reference
Parazoanthus axinellae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azolidines

Sub Class

Imidazolidines

Direct Parent

Hydantoins

Alternative Parents

Substituents

Hydantoin
Alpha-amino acid or derivatives
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
Alkyl aryl ether
N-acyl urea
Ureide
Monocyclic benzene moiety
Benzenoid
Dicarboximide
Urea
Guanidine
Carbonic acid derivative
Carboximidamide
Carboxylic acid derivative
Ether
Azacycle
Organooxygen compound
Organopnictogen compound
Organic nitrogen compound
Organic oxygen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Imine
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	0.96	ALOGPS
logP	-1.1	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	9.55	ChemAxon
pKa (Strongest Basic)	12.14	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	120.54 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	101.35 m³·mol⁻¹	ChemAxon
Polarizability	35.41 Å³	ChemAxon
Number of Rings	2	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

75034356

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine (NP0181852)

MOL for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

3D MOL for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

3D SDF for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

3D-SDF for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

PDB for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

3D PDB for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

SMILES for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

INCHI for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

Structure for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)

3D Structure for NP0181852 (n-(3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethenyl]-5-oxoimidazol-4-ylidene}propyl)guanidine)