
 CHEMBL2016601

 81 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2016601

>  <PubChem CID>
70691813

>  <Formula>
C33H38Cl2N4O3S

>  <Molecular Weight>
641.652000

>  <IUPAC Name>
2-[1-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]acetamide

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CC4CCC5=CC=CC=C5N4S(=O)(=O)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CC4CCC5=CC=CC=C5N4S(=O)(=O)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H38Cl2N4O3S/c34-30-15-14-29(23-31(30)35)43(41,42)39-28(11-8-24-6-2-3-7-32(24)39)22-33(40)36-25-9-12-26(13-10-25)38-20-16-27(17-21-38)37-18-4-1-5-19-37/h2-3,6-7,9-10,12-15,23,27-28H,1,4-5,8,11,16-22H2,(H,36,40)

>  <InChI Key>
BDISLKREUIUNSD-UHFFFAOYSA-N

