
 CHEMBL567198

 69 71  0  0  0  0  0  0  0  0999 V2000
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    6.1096    4.8974    0.1239 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL567198

>  <PubChem CID>
44550460

>  <Formula>
C27H34Cl3N3O2

>  <Molecular Weight>
538.938000

>  <IUPAC Name>
4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N(C)C1CCN(CC1)CCC(C)(C2=CC(=C(C=C2)Cl)Cl)C(=O)N(C)CC3=CC=CC=C3Cl

>  <Isomeric SMILES>
CC(=O)N(C)C1CCN(CC1)CCC(C)(C2=CC(=C(C=C2)Cl)Cl)C(=O)N(C)CC3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3

>  <InChI Key>
OZJDKUMSRQSURZ-UHFFFAOYSA-N

