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IMPPAT Phytochemical information:
2-Anilino-4-phenylimino-naphthalen-1-one
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY008417
Phytochemical name:
2-Anilino-4-phenylimino-naphthalen-1-one
Synonymous chemical names:
lutinine
External chemical identifiers:
CID:344133
Chemical structure information
SMILES:
O=C1C(=C/C(=Nc2ccccc2)/c2c1cccc2)Nc1ccccc1
InChI:
InChI=1S/C22H16N2O/c25-22-19-14-8-7-13-18(19)20(23-16-9-3-1-4-10-16)15-21(22)24-17-11-5-2-6-12-17/h1-15,24H/b23-20+
InChIKey:
QOTVFAGFCXDHJR-BSYVCWPDSA-N
DeepSMILES:
O=CC=C/C=Ncccccc6)))))))/cc6cccc6))))))))Ncccccc6
Functional groups:
c/N=C1C=C(Nc)C(=O)cc1
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C(Nc2ccccc2)=CC(=Nc2ccccc2)c2ccccc21
Scaffold Graph/Node level:
OC1C(NC2CCCCC2)CC(NC2CCCCC2)C2CCCCC12
Scaffold Graph level:
CC1C(CC2CCCCC2)CC(CC2CCCCC2)C2CCCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Naphthalenes
NP-Likeness score:
-0.39
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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