
 CHEMBL222156

 95 99  0  0  0  0  0  0  0  0999 V2000
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   10.5883    1.3785   -5.2177 H   0  0  0  0  0
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   10.4529   -1.2178    6.8908 H   0  0  0  0  0
    9.8059   -0.8730    8.5110 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL222156

>  <PubChem CID>
10441194

>  <Formula>
C35H45Cl2N7O5S

>  <Molecular Weight>
746.749000

>  <IUPAC Name>
2-[6-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-6-oxohexyl]guanidine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)CCCCCN=C(N)N)Cl)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCCC4)C(=O)N5CCN(CC5)C(=O)CCCCCN=C(N)N)Cl)C

>  <InChI Std. ID>
InChI=1S/C35H45Cl2N7O5S/c1-23-21-24(2)41-32-25(23)9-8-10-28(32)49-22-26-27(36)12-13-29(31(26)37)50(47,48)42-35(14-5-6-15-35)33(46)44-19-17-43(18-20-44)30(45)11-4-3-7-16-40-34(38)39/h8-10,12-13,21,42H,3-7,11,14-20,22H2,1-2H3,(H4,38,39,40)

>  <InChI Key>
BQIHVDDBUCQADT-UHFFFAOYSA-N

