IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Butylamine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY015523
Phytochemical name:
Butylamine
Synonymous chemical names:
butylamine
External chemical identifiers:
CID:8007
,
ChEMBL:CHEMBL13968
,
ChEBI:43799
,
ZINC:ZINC000001586365
,
FDASRS:N2QV60B4WR
,
SureChEMBL:SCHEMBL8559
,
MolPort-001-788-476
Chemical structure information
SMILES:
CCCCN
InChI:
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
InChIKey:
HQABUPZFAYXKJW-UHFFFAOYSA-N
DeepSMILES:
CCCCN
Functional groups:
CN
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Amines
NP-Likeness score:
0.572
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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