
 CHEMBL3329765

 63 67  0  0  0  0  0  0  0  0999 V2000
   -0.7409   -1.4842    1.1449 C   0  0  0  0  0
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    6.2281   -2.8640    6.0017 F   0  0  0  0  0
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    6.0053   -0.2286    2.3838 C   0  0  0  0  0
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    8.1231    3.4746    0.1634 C   0  0  0  0  0
   10.3600    5.5557    2.2814 N   0  0  0  0  0
   11.5840    5.1891    2.7001 N   0  0  0  0  0
   11.7415    3.9728    2.1718 C   0  0  0  0  0
   -1.1608   -1.9010    0.2360 H   0  0  0  0  0
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    1.6138    0.1730    1.2764 H   0  0  0  0  0
    3.7240   -2.6216    3.4566 H   0  0  0  0  0
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    2.5622    0.8877    4.0316 H   0  0  0  0  0
    3.2099    2.3405    5.8664 H   0  0  0  0  0
    4.6012    1.4737    7.7259 H   0  0  0  0  0
    5.3287   -0.8768    7.7214 H   0  0  0  0  0
    5.3377   -2.2684    2.3588 H   0  0  0  0  0
    5.6616   -1.3789   -0.4929 H   0  0  0  0  0
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    7.8061    5.4733    0.9419 H   0  0  0  0  0
    7.1511    3.4327   -0.3265 H   0  0  0  0  0
   10.0061    6.4612    2.5680 H   0  0  0  0  0
   12.6637    3.4363    2.3545 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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  7  8  2  0  0  0
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 36 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3329765

>  <PubChem CID>
118712537

>  <Formula>
C25H27F3N4O3S

>  <Molecular Weight>
520.571000

>  <IUPAC Name>
N-(cyclopropylmethyl)-1-(1H-indazol-5-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1CN(CC2=CC=CC=C2C(F)(F)F)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)NN=C5

>  <Isomeric SMILES>
C1CC1CN(CC2=CC=CC=C2C(F)(F)F)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)NN=C5

>  <InChI Std. ID>
InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-4-2-1-3-19(22)16-31(15-17-5-6-17)24(33)18-9-11-32(12-10-18)36(34,35)21-7-8-23-20(13-21)14-29-30-23/h1-4,7-8,13-14,17-18H,5-6,9-12,15-16H2,(H,29,30)

>  <InChI Key>
BDVPCTOORIYGTI-UHFFFAOYSA-N

