IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2,3-Dibromopropionamide
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY012259
Phytochemical name:
2,3-Dibromopropionamide
Synonymous chemical names:
2,3-dibromopropionamide
External chemical identifiers:
CID:85798
,
SureChEMBL:SCHEMBL55902
,
MolPort-005-938-212
Chemical structure information
SMILES:
NC(=O)C(CBr)Br
InChI:
InChI=1S/C3H5Br2NO/c4-1-2(5)3(6)7/h2H,1H2,(H2,6,7)
InChIKey:
DZQCMQRQFZXQKN-UHFFFAOYSA-N
DeepSMILES:
NC=O)CCBr))Br
Functional groups:
CBr, CC(N)=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic acids and derivatives
ClassyFire Class:
Carboxylic acids and derivatives
ClassyFire Subclass:
Carboxylic acid derivatives
NP-Likeness score:
-0.024
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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