
 CHEMBL313546

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL313546

>  <PubChem CID>
44319222

>  <Formula>
C34H38Cl2FN3O5

>  <Molecular Weight>
658.592000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C34H38Cl2FN3O5/c1-43-28-18-22(19-29(44-2)30(28)45-3)31(41)40-17-11-33(21-40,24-6-9-26(35)27(36)20-24)10-14-39-15-12-34(13-16-39,32(38)42)23-4-7-25(37)8-5-23/h4-9,18-20H,10-17,21H2,1-3H3,(H2,38,42)

>  <InChI Key>
SKQQTPWQQAVLTC-UHFFFAOYSA-N

