
 CHEMBL384116

 76 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL384116

>  <PubChem CID>
44416173

>  <Formula>
C33H35Cl4N3O

>  <Molecular Weight>
631.463000

>  <IUPAC Name>
2-[1-(1-cyclopentylpiperidin-4-yl)-6-(2,5-dichlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide

>  <XlogP>
8.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C1)N2CCC(CC2)C3C4=C(CCN3CC(=O)NC5=CC(=CC(=C5)Cl)Cl)C=C(C=C4)C6=C(C=CC(=C6)Cl)Cl

>  <Isomeric SMILES>
C1CCC(C1)N2CCC(CC2)C3C4=C(CCN3CC(=O)NC5=CC(=CC(=C5)Cl)Cl)C=C(C=C4)C6=C(C=CC(=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H35Cl4N3O/c34-24-6-8-31(37)30(19-24)22-5-7-29-23(15-22)11-14-40(20-32(41)38-27-17-25(35)16-26(36)18-27)33(29)21-9-12-39(13-10-21)28-3-1-2-4-28/h5-8,15-19,21,28,33H,1-4,9-14,20H2,(H,38,41)

>  <InChI Key>
AOGVTUDRZQZUJZ-UHFFFAOYSA-N

