BGC201531   

GtoPdb Ligand ID: 3380

Synonyms: BGC20-1531
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 112.2
Molecular weight 496.17
XLogP 3.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C
Isomeric SMILES COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C
InChI InChI=1S/C26H28N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-13,15,18,20,24H,14,16H2,1-3H3,(H,28,29)
InChI Key BGXAOTTWXYPIQN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[4-(5-methoxypyridin-2-yl)phenoxymethyl]-5-methyl-N-[(2-methylbenzene)sulfonyl]oxolane-2-carboxamide
Synonyms
BGC20-1531
Database Links
GtoPdb PubChem SID 178100398
PubChem CID 73755047
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