BMS-986124   Click here for help

GtoPdb Ligand ID: 9160

Compound class: Synthetic organic
Comment: BMS-986124 is a silent (or neutral) allosteric modulator (SAM) of the μ opioid receptor [2]. It is one of the compounds claimed in patent WO2014107344 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 80.29
Molecular weight 446.94
XLogP 4.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl
Isomeric SMILES COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl
InChI InChI=1S/C16H15BrClNO3S2/c1-22-15-10-11(17)2-7-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3
InChI Key PMPBBWPDHSHENJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-bromo-2-methoxyphenyl)-3-(4-chlorobenzenesulfonyl)-1,3-thiazolidine
Database Links Click here for help
GtoPdb PubChem SID 315661243
PubChem CID 121231405
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