
 CHEMBL211504

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL211504

>  <PubChem CID>
10239930

>  <Formula>
C30H31Cl3FN3O

>  <Molecular Weight>
574.946000

>  <IUPAC Name>
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3,5-dichlorophenyl)phenyl]piperidin-4-yl]amino]acetamide

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=CC(=CC(=C4)Cl)Cl)NCC(=O)NC5=CC(=C(C=C5)F)Cl

>  <Isomeric SMILES>
C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=CC(=CC(=C4)Cl)Cl)NCC(=O)NC5=CC(=C(C=C5)F)Cl

>  <InChI Std. ID>
InChI=1S/C30H31Cl3FN3O/c31-23-15-21(16-24(32)17-23)20-5-7-22(8-6-20)30(11-13-37(14-12-30)26-3-1-2-4-26)35-19-29(38)36-25-9-10-28(34)27(33)18-25/h5-10,15-18,26,35H,1-4,11-14,19H2,(H,36,38)

>  <InChI Key>
DXZCQJLJSTXNQD-UHFFFAOYSA-N

