ICA-27243   Click here for help

GtoPdb Ligand ID: 7667

Synonyms: ICA 27243 | ICA27243
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 41.99
Molecular weight 268.02
XLogP 2.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F
Isomeric SMILES Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F
InChI InChI=1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)
InChI Key GDGUOCFTHNGPBK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide
Synonyms Click here for help
ICA 27243 | ICA27243
Database Links Click here for help
CAS Registry No. 325457-89-4 (source: Scifinder)
ChEMBL Ligand CHEMBL402146
GtoPdb PubChem SID 223366002
PubChem CID 9903497
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