
 CHEMBL270790

 58 61  0  0  0  0  0  0  0  0999 V2000
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    2.6856   -6.2039   -3.0118 S   0  0  0  0  0
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    3.4385   -7.6490   -2.3338 C   0  0  0  0  0
    2.6297   -8.6716   -1.8624 C   0  0  0  0  0
    3.1932   -9.8364   -1.3405 C   0  0  0  0  0
    4.5872   -9.9950   -1.2823 C   0  0  0  0  0
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    6.6524  -11.8618   -1.3199 S   0  0  0  0  0
    1.2943   -8.5558   -1.8774 F   0  0  0  0  0
    1.5116    3.3461   -1.2968 H   0  0  0  0  0
    0.0167    2.4120   -1.2012 H   0  0  0  0  0
    1.2137    2.0240   -2.4410 H   0  0  0  0  0
    1.4843    1.7270    0.5906 H   0  0  0  0  0
    0.0811   -0.0107   -0.5863 H   0  0  0  0  0
    1.4467   -0.6453    0.3425 H   0  0  0  0  0
    3.6277   -1.3084   -1.0072 H   0  0  0  0  0
    3.5242   -1.1501   -2.7776 H   0  0  0  0  0
    3.3705    1.2997   -2.6069 H   0  0  0  0  0
    3.6115    0.9458    0.3026 H   0  0  0  0  0
    5.6416    0.1997   -0.8713 H   0  0  0  0  0
    5.6187    1.7787   -1.6781 H   0  0  0  0  0
    5.6236    0.2945   -2.6397 H   0  0  0  0  0
    2.7354   -3.2935   -1.3886 H   0  0  0  0  0
   -1.9328   -3.1435   -3.0680 H   0  0  0  0  0
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    5.2920  -13.9261    1.3037 H   0  0  0  0  0
    7.4261  -13.9062   -0.2417 H   0  0  0  0  0
  1  2  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL270790

>  <PubChem CID>
44452932

>  <Formula>
C23H26FN3O3S2

>  <Molecular Weight>
475.597000

>  <IUPAC Name>
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=C(C=C(C=C3)C4=CC=CS4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=C(C=C(C=C3)C4=CC=CS4)F

>  <InChI Std. ID>
InChI=1S/C23H26FN3O3S2/c1-15-13-27(14-16(2)25-15)18-7-8-21(30-3)20(12-18)26-32(28,29)23-9-6-17(11-19(23)24)22-5-4-10-31-22/h4-12,15-16,25-26H,13-14H2,1-3H3/t15-,16+

>  <InChI Key>
AMRSNVKLFBUABO-IYBDPMFKSA-N

