
 CHEMBL432183

102107  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL432183

>  <PubChem CID>
44319082

>  <Formula>
C40H50Cl2N4O6

>  <Molecular Weight>
753.762000

>  <IUPAC Name>
1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCN5CCOCC5)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)NCCN5CCOCC5)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C40H50Cl2N4O6/c1-49-34-25-29(26-35(50-2)36(34)51-3)37(47)46-19-12-39(28-46,31-9-10-32(41)33(42)27-31)11-16-44-17-13-40(14-18-44,30-7-5-4-6-8-30)38(48)43-15-20-45-21-23-52-24-22-45/h4-10,25-27H,11-24,28H2,1-3H3,(H,43,48)

>  <InChI Key>
VDMSRLSDKANFQZ-UHFFFAOYSA-N

