
 CHEMBL312173

 83 87  0  0  0  0  0  0  0  0999 V2000
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    7.1982    6.0146   -3.5863 H   0  0  0  0  0
   10.3062    9.6412    0.1933 H   0  0  0  0  0
   11.9376    9.1546    1.9350 H   0  0  0  0  0
   13.2759    7.0675    1.8618 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL312173

>  <PubChem CID>
44319355

>  <Formula>
C34H40ClN3O5

>  <Molecular Weight>
606.160000

>  <IUPAC Name>
1-[2-[3-(4-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=C(C=C5)Cl

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

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

>  <InChI Key>
SIJRUMGCKUFQJL-UHFFFAOYSA-N

