compound 1e [PMID: 27285276]   Click here for help

GtoPdb Ligand ID: 9550

Compound class: Synthetic organic
Comment: Compound 1e [PMID: 27285276] is a cathepsin H inhibitor [1].
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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 4
Topological polar surface area 41.46
Molecular weight 258.06
XLogP 4.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)C=NNC(=O)c1ccccc1
Isomeric SMILES Clc1ccc(cc1)/C=N/NC(=O)c1ccccc1
InChI InChI=1S/C14H11ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b16-10+
InChI Key YJGPDMQKIPQVLX-MHWRWJLKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(4-chlorophenyl)methylideneamino]benzamide
Database Links Click here for help
ChEMBL Ligand CHEMBL2235152
GtoPdb PubChem SID 336446936
PubChem CID 6861534
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