
 CHEMBL601885

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL601885

>  <PubChem CID>
46232689

>  <Formula>
C30H40N4O3S

>  <Molecular Weight>
536.735000

>  <IUPAC Name>
N-(cyclohexylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN(CC3CCCCC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCN(CC3CCCCC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3

>  <InChI Key>
AGDOTHDBWYNHAX-UHFFFAOYSA-N

