
 SB-258510

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    6.1207   -3.7065   -0.9005 O   0  0  0  0  0
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    2.4864   -5.6359   -0.6289 C   0  0  0  0  0
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    6.0847  -11.1208    3.2678 C   0  0  0  0  0
    5.4646   -5.4788   -2.4822 H   0  0  0  0  0
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    3.6409   -5.1908   -6.0430 H   0  0  0  0  0
    0.7628   -2.1920   -7.1321 H   0  0  0  0  0
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    5.9557  -12.2010    3.1364 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SB-258510

>  <PubChem CID>
6918648

>  <Formula>
C21H24ClN3O3S2

>  <Molecular Weight>
466.011000

>  <IUPAC Name>
5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)C

>  <Isomeric SMILES>
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)C

>  <InChI Std. ID>
InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3

>  <InChI Key>
ZINLARKOVIPOJW-UHFFFAOYSA-N

