IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Trimethylamine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY001813
Phytochemical name:
Trimethylamine
Synonymous chemical names:
trimethylamine, trimethylamines
External chemical identifiers:
CID:1146
,
ChEMBL:CHEMBL439723
,
ChEBI:18139
,
ZINC:ZINC000008216125
,
FDASRS:LHH7G8O305
,
SureChEMBL:SCHEMBL5582
Chemical structure information
SMILES:
CN(C)C
InChI:
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
InChIKey:
GETQZCLCWQTVFV-UHFFFAOYSA-N
DeepSMILES:
CNC)C
Functional groups:
CN(C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Amines
NP-Likeness score:
-0.518
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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