
 CHEMBL386794

 97101  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  44   1
M  END

>  <Chemical Name>
CHEMBL386794

>  <PubChem CID>
16105694

>  <Formula>
C36H48Cl2N5O5S+

>  <Molecular Weight>
733.770000

>  <IUPAC Name>
[5-[4-[1-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

>  <InChI Std. ID>
InChI=1S/C36H48Cl2N5O5S/c1-25-23-26(2)39-34-27(25)11-10-12-30(34)48-24-28-29(37)14-15-31(33(28)38)49(46,47)40-36(16-7-8-17-36)35(45)42-20-18-41(19-21-42)32(44)13-6-9-22-43(3,4)5/h10-12,14-15,23,40H,6-9,13,16-22,24H2,1-5H3/q+1

>  <InChI Key>
AVCCDSXROVKBCO-UHFFFAOYSA-N

