IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
N-Methylformanilide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016768
Phytochemical name:
N-Methylformanilide
Synonymous chemical names:
n-methyl-n-phenylformamide
External chemical identifiers:
CID:66737
,
ZINC:ZINC000003860612
,
SureChEMBL:SCHEMBL66606
,
MolPort-001-780-248
Chemical structure information
SMILES:
O=CN(c1ccccc1)C
InChI:
InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey:
JIKUXBYRTXDNIY-UHFFFAOYSA-N
DeepSMILES:
O=CNcccccc6))))))C
Functional groups:
cN(C)C=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 Classifier Biosynthetic pathway:
Alkaloids
NP-Likeness score:
-0.231
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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