
 CHEMBL221683

 94 98  0  0  0  0  0  0  0  0999 V2000
    6.5991   -9.0347    3.8260 C   0  0  0  0  0
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M  CHG  1  43   1
M  END

>  <Chemical Name>
CHEMBL221683

>  <PubChem CID>
10396101

>  <Formula>
C35H46Cl2N5O5S+

>  <Molecular Weight>
719.743000

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

>  <XlogP>
4.8

>  <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)CCC[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)CCC[N+](C)(C)C)Cl)C

>  <InChI Std. ID>
InChI=1S/C35H46Cl2N5O5S/c1-24-22-25(2)38-33-26(24)10-8-11-29(33)47-23-27-28(36)13-14-30(32(27)37)48(45,46)39-35(15-6-7-16-35)34(44)41-19-17-40(18-20-41)31(43)12-9-21-42(3,4)5/h8,10-11,13-14,22,39H,6-7,9,12,15-21,23H2,1-5H3/q+1

>  <InChI Key>
FITBAVZSOSBRLL-UHFFFAOYSA-N

