OPC 4392   Click here for help

GtoPdb Ligand ID: 268

Synonyms: OPC-4392
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 6
Topological polar surface area 48.57
Molecular weight 391.23
XLogP 4.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2
Isomeric SMILES Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2
InChI InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)
InChI Key RRLWEQBPSAFVAS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-1H-quinolin-2-one
Synonyms Click here for help
OPC-4392
Database Links Click here for help
BindingDB Ligand 82065
CAS Registry No. 111073-34-8 (source: Scifinder)
ChEMBL Ligand CHEMBL55171
GtoPdb PubChem SID 135650775
PubChem CID 163839
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