
 CHEMBL43912

 61 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL43912

>  <PubChem CID>
44288896

>  <Formula>
C29H25Cl2N3O2

>  <Molecular Weight>
518.438000

>  <IUPAC Name>
N-[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]quinoline-4-carboxamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(C(CC1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <Isomeric SMILES>
C1CN([C@@H](C[C@H]1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H25Cl2N3O2/c30-21-15-20(16-22(31)17-21)29(36)34-13-11-23(18-24(34)14-19-6-2-1-3-7-19)33-28(35)26-10-12-32-27-9-5-4-8-25(26)27/h1-10,12,15-17,23-24H,11,13-14,18H2,(H,33,35)/t23-,24+/m0/s1

>  <InChI Key>
IDKSGROGHXKFIS-BJKOFHAPSA-N

