
 CHEMBL278917

 66 70  0  0  0  0  0  0  0  0999 V2000
    1.1704   -3.9415    0.8626 C   0  0  0  0  0
    1.1200   -2.4848    0.9949 N   0  0  0  0  0
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    0.0374  -10.9432  -12.6890 F   0  0  0  0  0
    4.9359    0.4521   -1.2665 O   0  0  0  0  0
    6.2242    0.9760   -0.9677 C   0  0  0  0  0
    0.1728   -4.3411    0.6489 H   0  0  0  0  0
    1.4934   -4.3952    1.8060 H   0  0  0  0  0
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    2.3282   -0.8712    1.5563 H   0  0  0  0  0
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    3.7823   -3.0162   -0.0787 H   0  0  0  0  0
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    1.5710   -2.9912   -1.7653 H   0  0  0  0  0
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    6.5776    0.2313   -3.4201 H   0  0  0  0  0
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    2.8437   -4.3387   -7.8538 H   0  0  0  0  0
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    5.4715   -5.5427   -8.8243 H   0  0  0  0  0
    4.5243   -7.4875   -9.5557 H   0  0  0  0  0
    3.4268   -8.5320   -7.4907 H   0  0  0  0  0
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    2.4837  -11.2199  -11.9026 H   0  0  0  0  0
   -1.0104   -8.7296  -11.8028 H   0  0  0  0  0
    6.1594    1.4987   -0.0086 H   0  0  0  0  0
    6.5329    1.7065   -1.7221 H   0  0  0  0  0
    6.9705    0.1804   -0.8626 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
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL278917

>  <PubChem CID>
10096048

>  <Formula>
C26H32FN5O2

>  <Molecular Weight>
465.573000

>  <IUPAC Name>
4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C4=CNC5=C4C=CC(=C5)F)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC(CC3)C4=CNC5=C4C=CC(=C5)F)OC

>  <InChI Std. ID>
InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)

>  <InChI Key>
HTPUNSOMSVSTME-UHFFFAOYSA-N

