compound 10f [PMID: 24556381]   Click here for help

GtoPdb Ligand ID: 8602

Compound class: Synthetic organic
Comment: Compound 10f is reported to inhibit neutrophil elastase and carboxyl ester lipase (aka cholesterol esterase) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 28.68
Molecular weight 354.09
XLogP 6.79
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1
Isomeric SMILES Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1
InChI InChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H
InChI Key LTUZPODERZUPRD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline
Database Links Click here for help
ChEMBL Ligand CHEMBL3125346
GtoPdb PubChem SID 252166803
PubChem CID 54613196
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