IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Dodecanamide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016628
Phytochemical name:
Dodecanamide
Synonymous chemical names:
dodecanamide
External chemical identifiers:
CID:14256
,
ChEBI:34726
,
ZINC:ZINC000001587675
,
FDASRS:3BD22052MO
,
SureChEMBL:SCHEMBL42192
,
MolPort-001-787-895
Chemical structure information
SMILES:
CCCCCCCCCCCC(=O)N
InChI:
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)
InChIKey:
ILRSCQWREDREME-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCC=O)N
Functional groups:
CC(N)=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty amides
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty amides
NP Classifier Class:
Primary amides
NP-Likeness score:
0.068
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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