
 CHEMBL211012

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL211012

>  <PubChem CID>
10457710

>  <Formula>
C25H40N4O3S

>  <Molecular Weight>
476.680000

>  <IUPAC Name>
N-[3-[4-[[1-(cyclohexylmethylsulfonyl)piperidin-4-yl]methyl]piperazin-1-yl]phenyl]acetamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)NC1=CC=CC(=C1)N2CCN(CC2)CC3CCN(CC3)S(=O)(=O)CC4CCCCC4

>  <Isomeric SMILES>
CC(=O)NC1=CC=CC(=C1)N2CCN(CC2)CC3CCN(CC3)S(=O)(=O)CC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)

>  <InChI Key>
KSDUDINTMMXLNJ-UHFFFAOYSA-N

