L-162,313   Click here for help

GtoPdb Ligand ID: 3936

Synonyms: L 162313 | L-162313
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 139.8
Molecular weight 582.23
XLogP 6.19
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C
Isomeric SMILES CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C
InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
InChI Key RINPELQWLUGERM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Synonyms Click here for help
L 162313 | L-162313
Database Links Click here for help
ChEMBL Ligand CHEMBL288174
GtoPdb PubChem SID 178100764
PubChem CID 6603900
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