
 CHEMBL83585

 83 87  0  0  0  0  0  0  0  0999 V2000
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    7.6011   10.6301   -3.7336 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL83585

>  <PubChem CID>
44319057

>  <Formula>
C34H40ClN3O5

>  <Molecular Weight>
606.160000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C34H40ClN3O5/c1-41-28-20-24(21-29(42-2)30(28)43-3)31(39)38-19-13-33(23-38,26-10-7-11-27(35)22-26)12-16-37-17-14-34(15-18-37,32(36)40)25-8-5-4-6-9-25/h4-11,20-22H,12-19,23H2,1-3H3,(H2,36,40)

>  <InChI Key>
VJGOUBCAZPOTIY-UHFFFAOYSA-N

