
 CHEMBL209459

 67 70  0  0  0  0  0  0  0  0999 V2000
    6.3240   -5.1976    6.1938 C   0  0  0  0  0
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    5.4933   -5.8125    5.8320 H   0  0  0  0  0
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   10.9440    0.8319   -9.2803 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 35  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL209459

>  <PubChem CID>
10254142

>  <Formula>
C25H34N4O3S

>  <Molecular Weight>
470.632000

>  <IUPAC Name>
N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]cyclopropanecarboxamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NCCCCN2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4CC4

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NCCCCN2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4CC4

>  <InChI Std. ID>
InChI=1S/C25H34N4O3S/c1-20-7-11-24(12-8-20)33(31,32)26-13-2-3-14-28-15-17-29(18-16-28)23-6-4-5-22(19-23)27-25(30)21-9-10-21/h4-8,11-12,19,21,26H,2-3,9-10,13-18H2,1H3,(H,27,30)

>  <InChI Key>
JONFWGAWADRHQO-UHFFFAOYSA-N

