GSK 256471   Click here for help

GtoPdb Ligand ID: 5774

Synonyms: GSK-256471
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 87.75
Molecular weight 499.19
XLogP 5.46
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)NC(c1ccccc1)C1CC1
Isomeric SMILES O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1
InChI InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1
InChI Key YTXUTYGRBYCUIL-HHHXNRCGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(S)-cyclopropyl(phenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenylquinoline-4-carboxamide
Synonyms Click here for help
GSK-256471
Database Links Click here for help
CAS Registry No. 1133706-08-7
ChEMBL Ligand CHEMBL480249
GtoPdb PubChem SID 178102399
PubChem CID 44570980
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UniChem Connectivity Search for chemical match using the InChIKey YTXUTYGRBYCUIL-HHHXNRCGSA-N