NP-MRD: Showing NP-Card for 2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one (NP0146422)

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Record Information

Version

1.0

Created at

2022-09-02 01:49:07 UTC

Updated at

2022-09-02 01:49:08 UTC

NP-MRD ID

NP0146422

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one

Description

Dehydrocyclopeptine belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. 2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one is found in Penicillium cyclopium. It was first documented in 2002 (PMID: 11916664). Based on a literature review a small amount of articles have been published on dehydrocyclopeptine (PMID: 31246580) (PMID: 32927980) (PMID: 33811268).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.6818   -1.1790   -1.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812   -0.5075   -0.5464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    0.1440   -1.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2718    0.5936   -2.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388    0.3197   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6263    0.8721   -1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8984    1.1027   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2147    0.7846    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2182    0.2291    1.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9380   -0.0042    0.9483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5805    1.9279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -0.8425    1.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2713   -1.4199    3.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1638   -0.5786    0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -0.3703    1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346   -0.0462    0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    0.9500   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    1.2556   -1.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183    0.5745   -1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561   -0.4303   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464   -0.7294    0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0364   -0.5724   -2.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428   -2.0485   -1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5066   -1.6784   -0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586    1.1152   -2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6600    1.5359   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2172    0.9688    1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4717   -0.0223    2.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1929   -0.8086    3.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749   -0.4668    2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    1.5263   -0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070    2.0450   -2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6912    0.8012   -1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7713   -1.0172   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -1.5158    1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14  2  1  0
 21 16  1  0
 10  5  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  6 25  1  0
  7 26  1  0
  8 27  1  0
  9 28  1  0
 13 29  1  0
 15 30  1  0
 17 31  1  0
 18 32  1  0
 19 33  1  0
 20 34  1  0
 21 35  1  0
M  END


  Mrv1652309022203492D          

 21 23  0  0  0  0            999 V2000
    2.5552    0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    0.8975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529   -0.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    2.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    2.5677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5552    3.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4613    0.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4613   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238    0.2118    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  4  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0146422

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C(=O)C2=CC=CC=C2N=C(O)C1=CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)

> <INCHI_KEY>
FYVKHLSOIIPVEH-UHFFFAOYSA-N

> <FORMULA>
C17H14N2O2

> <MOLECULAR_WEIGHT>
278.311

> <EXACT_MASS>
278.105527699

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
29.12085038739282

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-4-methyl-3-(phenylmethylidene)-4,5-dihydro-3H-1,4-benzodiazepin-5-one

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
1.9530685816533548

> <ALOGPS_LOGS>
-3.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.4593552172581736

> <JCHEM_PKA_STRONGEST_BASIC>
15.000000000438916

> <JCHEM_POLAR_SURFACE_AREA>
52.900000000000006

> <JCHEM_REFRACTIVITY>
84.67020000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.74e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       4.770   0.471   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       3.810   1.675   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.308   1.333   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.965  -0.169   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.104   2.293   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.230   1.523   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.563   2.293   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.563   3.833   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.230   4.603   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.104   3.833   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.308   4.793   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       3.810   4.450   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.770   5.654   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.478   3.063   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.018   3.063   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.788   1.729   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.328   1.729   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.098   0.395   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.328  -0.938   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.788  -0.938   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.018   0.395   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    2   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
3,10-Dehydrocyclopeptine	ChEBI

Chemical Formula

C₁₇H₁₄N₂O₂

Average Mass

278.3110 Da

Monoisotopic Mass

278.10553 Da

IUPAC Name

2-hydroxy-4-methyl-3-(phenylmethylidene)-4,5-dihydro-3H-1,4-benzodiazepin-5-one

Traditional Name

2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one

CAS Registry Number

Not Available

SMILES

CN1C(=O)C2=CC=CC=C2N=C(O)C1=CC1=CC=CC=C1

InChI Identifier

InChI=1S/C17H14N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-11H,1H3,(H,18,20)

InChI Key

FYVKHLSOIIPVEH-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
Penicillium cyclopium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzodiazepines

Sub Class

1,4-benzodiazepines

Direct Parent

1,4-benzodiazepines

Alternative Parents

Substituents

1,4-benzodiazepine
Alpha-amino acid or derivatives
Monocyclic benzene moiety
Benzenoid
Tertiary carboxylic acid amide
Vinylogous amide
Carboxamide group
Lactam
Secondary carboxylic acid amide
Carboxylic acid derivative
Azacycle
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

1,4-benzodiazepinone (CHEBI:71322 )

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	2.4	ALOGPS
logP	1.95	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	-1.5	ChemAxon
pKa (Strongest Basic)	15	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	52.9 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	84.67 m³·mol⁻¹	ChemAxon
Polarizability	29.12 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00051926

Chemspider ID

83316

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92282

PDB ID

Not Available

ChEBI ID

71322

Good Scents ID

Not Available

References

General References

El Euch IZ, El-Metwally MM, Frese M, Sewald N, Abdissa N, Shaaban M: Secondary metabolites from Penicillium sp. 8PKH isolated from deteriorated rice straws. Z Naturforsch C J Biosci. 2019 Nov 26;74(11-12):283-288. doi: 10.1515/znc-2019-0010. [PubMed:31246580 ]
Liu SZ, He FM, Bin YL, Li CF, Xie BY, Tang XX, Qiu YK: Bioactive compounds derived from the marine-derived fungus MCCC3A00951 and their influenza neuraminidase inhibition activity in vitro and in silico. Nat Prod Res. 2021 Dec;35(24):5621-5628. doi: 10.1080/14786419.2020.1817015. Epub 2020 Sep 14. [PubMed:32927980 ]
Teixeira TR, Rangel KC, Tavares RSN, Kawakami CM, Dos Santos GS, Maria-Engler SS, Colepicolo P, Gaspar LR, Debonsi HM: In Vitro Evaluation of the Photoprotective Potential of Quinolinic Alkaloids Isolated from the Antarctic Marine Fungus Penicillium echinulatum for Topical Use. Mar Biotechnol (NY). 2021 Jun;23(3):357-372. doi: 10.1007/s10126-021-10030-x. Epub 2021 Apr 2. [PubMed:33811268 ]
Helbig F, Steighardt J, Roos W: Uric acid is a genuine metabolite of Penicillium cyclopium and stimulates the expression of alkaloid biosynthesis in this fungus. Appl Environ Microbiol. 2002 Apr;68(4):1524-33. doi: 10.1128/AEM.68.4.1524-1533.2002. [PubMed:11916664 ]
LOTUS database [Link]

Showing NP-Card for 2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one (NP0146422)

MOL for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

3D MOL for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

3D SDF for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

3D-SDF for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

PDB for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

3D PDB for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

SMILES for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

INCHI for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

Structure for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)

3D Structure for NP0146422 (2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one)