SB 242084   Click here for help

GtoPdb Ligand ID: 193

Synonyms: SB-242,084 | SB242084
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 67.35
Molecular weight 394.12
XLogP 3.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C
Isomeric SMILES O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C
InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
InChI Key GIUZEIJUFOPTMR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide
Synonyms Click here for help
SB-242,084 | SB242084
Database Links Click here for help
BindingDB Ligand 50060416
CAS Registry No. 181632-25-7 (source: Scifinder)
ChEMBL Ligand CHEMBL14563
GtoPdb PubChem SID 135650998
PubChem CID 3644637
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Wikipedia SB-242,084