
 CHEMBL361210

 87 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL361210

>  <PubChem CID>
44391404

>  <Formula>
C35H44ClN5O2

>  <Molecular Weight>
602.220000

>  <IUPAC Name>
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]-3-phenylpropanamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)CCC4=CC=CC=C4)NC5CCCNC5

>  <Isomeric SMILES>
CC(C1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)CCC4=CC=CC=C4)NC5CCCNC5

>  <InChI Std. ID>
InChI=1S/C35H44ClN5O2/c1-26(38-30-10-7-19-37-25-30)31-11-5-6-12-33(31)40-20-22-41(23-21-40)35(43)32(24-28-13-16-29(36)17-14-28)39-34(42)18-15-27-8-3-2-4-9-27/h2-6,8-9,11-14,16-17,26,30,32,37-38H,7,10,15,18-25H2,1H3,(H,39,42)/t26?,30?,32-/m1/s1

>  <InChI Key>
AGLVBYARDIXEPC-AKLHMHDGSA-N

