
 CHEMBL179837

 82 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL179837

>  <PubChem CID>
44390422

>  <Formula>
C35H37ClN4O4S

>  <Molecular Weight>
645.215000

>  <IUPAC Name>
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carboxamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CS(=O)(=O)N(CC1CC1)C2=CC=CC=C2N3CCN(CC3)C(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C5=CC6=CC=CC=C6C=C5

>  <Isomeric SMILES>
CS(=O)(=O)N(CC1CC1)C2=CC=CC=C2N3CCN(CC3)C(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)C5=CC6=CC=CC=C6C=C5

>  <InChI Std. ID>
InChI=1S/C35H37ClN4O4S/c1-45(43,44)40(24-26-10-11-26)33-9-5-4-8-32(33)38-18-20-39(21-19-38)35(42)31(22-25-12-16-30(36)17-13-25)37-34(41)29-15-14-27-6-2-3-7-28(27)23-29/h2-9,12-17,23,26,31H,10-11,18-22,24H2,1H3,(H,37,41)/t31-/m1/s1

>  <InChI Key>
AMAVLJGPQBNVJH-WJOKGBTCSA-N

