IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Formanilide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY015687
Phytochemical name:
Formanilide
Synonymous chemical names:
formanilide
External chemical identifiers:
CID:7671
,
ChEMBL:CHEMBL1232659
,
ChEBI:42416
,
ZINC:ZINC000013550498
,
FDASRS:2805XEA9CL
,
SureChEMBL:SCHEMBL2463
,
MolPort-001-002-754
Chemical structure information
SMILES:
O=CNc1ccccc1
InChI:
InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey:
DYDNPESBYVVLBO-UHFFFAOYSA-N
DeepSMILES:
O=CNcccccc6
Functional groups:
cNC=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Benzene and substituted derivatives
ClassyFire Subclass:
Anilides
NP-Likeness score:
-0.655
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top