
 CHEMBL366972

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL366972

>  <PubChem CID>
44382156

>  <Formula>
C31H35Cl2N3O6

>  <Molecular Weight>
616.536000

>  <IUPAC Name>
[(5R)-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-pyridin-4-ylpiperidin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(OC2)(CCN3CCC(CC3)(C4=CC=NC=C4)O)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@@](OC2)(CCN3CCC(CC3)(C4=CC=NC=C4)O)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C31H35Cl2N3O6/c1-39-26-16-21(17-27(40-2)28(26)41-3)29(37)36-19-31(42-20-36,23-4-5-24(32)25(33)18-23)10-15-35-13-8-30(38,9-14-35)22-6-11-34-12-7-22/h4-7,11-12,16-18,38H,8-10,13-15,19-20H2,1-3H3/t31-/m0/s1

>  <InChI Key>
JROZJKNRDPMAJA-HKBQPEDESA-N

