
 CHEMBL2414713

 59 63  0  0  0  0  0  0  0  0999 V2000
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    5.3822   -2.3646   -6.1389 C   0  0  0  0  0
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    7.5544    1.6674   -8.4325 S   0  0  0  0  0
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   11.1611    0.0965   -7.4737 C   0  0  0  0  0
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    5.4990    4.9860   -5.7290 C   0  0  0  0  0
    6.2442    5.2243   -4.5763 C   0  0  0  0  0
    6.8977    4.1703   -3.9433 C   0  0  0  0  0
    6.8228    2.8821   -4.4767 C   0  0  0  0  0
   -0.7765    0.2900   -1.0504 H   0  0  0  0  0
   -0.1654   -1.3540   -0.9488 H   0  0  0  0  0
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    2.1658   -1.7701   -0.5048 H   0  0  0  0  0
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    3.9280   -1.3051   -2.1360 H   0  0  0  0  0
    2.3494   -1.1115   -2.8855 H   0  0  0  0  0
    2.6387    2.6618   -2.4574 H   0  0  0  0  0
    1.5047    1.4791   -3.1010 H   0  0  0  0  0
    2.3507    1.8965   -0.1951 H   0  0  0  0  0
    0.7653    2.1708   -0.8750 H   0  0  0  0  0
    5.3836   -0.6285   -3.4782 H   0  0  0  0  0
    7.1341   -1.2454   -9.4247 H   0  0  0  0  0
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    4.8754   -2.7013   -5.2378 H   0  0  0  0  0
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    7.4589    4.3484   -3.0297 H   0  0  0  0  0
    7.3330    2.0725   -3.9610 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
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  6 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2414713

>  <PubChem CID>
71769190

>  <Formula>
C26H25FN4O2S

>  <Molecular Weight>
476.570000

>  <IUPAC Name>
(E)-1-[1-(4-fluorophenyl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)N=CC2=C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5

>  <Isomeric SMILES>
CN1CCN(CC1)/N=C/C2=C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H25FN4O2S/c1-29-15-17-30(18-16-29)28-19-24-23-9-5-6-10-25(23)31(26(24)20-7-3-2-4-8-20)34(32,33)22-13-11-21(27)12-14-22/h2-14,19H,15-18H2,1H3/b28-19+

>  <InChI Key>
BPURISIIOQRMLB-TURZUDJPSA-N

