
 CHEMBL1934421

 73 75  0  0  0  0  0  0  0  0999 V2000
    6.8351    3.9970    5.2962 C   0  0  0  0  0
    7.2934    2.7518    4.5943 C   0  0  0  0  0
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    8.6807   -1.0632    2.4946 S   0  0  0  0  0
   10.0936   -1.2335    2.7612 O   0  0  0  0  0
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   11.7070    0.8331   -1.7037 N   0  0  0  0  0
   12.1570    2.1819   -2.0464 C   0  0  0  0  0
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   12.9502    2.1640   -3.4057 C   0  0  0  0  0
   12.0117    1.7166   -4.5513 C   0  0  0  0  0
   13.4725    3.5688   -3.7659 C   0  0  0  0  0
   14.1582    1.2037   -3.3597 C   0  0  0  0  0
    7.0234    3.9145    6.3712 H   0  0  0  0  0
    5.7630    4.1660    5.1500 H   0  0  0  0  0
    7.3636    4.8713    4.9028 H   0  0  0  0  0
    9.3925    3.1168    4.9779 H   0  0  0  0  0
   10.1630    1.0676    3.8408 H   0  0  0  0  0
    6.0646    0.0264    2.9514 H   0  0  0  0  0
    5.2992    2.0821    4.0798 H   0  0  0  0  0
    8.6922    0.3905    0.7691 H   0  0  0  0  0
    7.9108   -3.6805    0.8234 H   0  0  0  0  0
    6.6742   -2.0495   -0.7332 H   0  0  0  0  0
    5.9888   -3.6567   -0.6216 H   0  0  0  0  0
    6.0523   -2.8896   -2.9661 H   0  0  0  0  0
    7.7645   -2.5844   -2.8682 H   0  0  0  0  0
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    5.2935   -5.0043   -3.4938 H   0  0  0  0  0
    5.7085   -5.6234   -1.9075 H   0  0  0  0  0
   12.9745   -3.1449   -1.2433 H   0  0  0  0  0
   13.1894   -1.4012   -1.1682 H   0  0  0  0  0
   12.5654   -2.1526   -2.6570 H   0  0  0  0  0
   11.8668    0.1107   -2.3888 H   0  0  0  0  0
   11.2509    2.7890   -2.1757 H   0  0  0  0  0
   13.8309    2.1828   -0.6352 H   0  0  0  0  0
   12.3383    2.8302    0.0313 H   0  0  0  0  0
   13.2672    3.8076   -1.0861 H   0  0  0  0  0
   11.6603    0.6877   -4.4220 H   0  0  0  0  0
   12.5232    1.7589   -5.5200 H   0  0  0  0  0
   11.1309    2.3656   -4.6134 H   0  0  0  0  0
   14.2419    3.9100   -3.0662 H   0  0  0  0  0
   12.6605    4.3035   -3.7708 H   0  0  0  0  0
   13.9307    3.5731   -4.7623 H   0  0  0  0  0
   14.8642    1.4797   -2.5704 H   0  0  0  0  0
   14.7069    1.2184   -4.3084 H   0  0  0  0  0
   13.8534    0.1667   -3.1878 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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  2  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1934421

>  <PubChem CID>
57399614

>  <Formula>
C25H36F3N5O3S

>  <Molecular Weight>
543.650000

>  <IUPAC Name>
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2C3CCN(CC3)CC(F)(F)F)C)C(=O)NC(C)C(C)(C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2C3CCN(CC3)CC(F)(F)F)C)C(=O)N[C@@H](C)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C25H36F3N5O3S/c1-16-7-9-20(10-8-16)37(35,36)31-22-21(23(34)29-18(3)24(4,5)6)17(2)30-33(22)19-11-13-32(14-12-19)15-25(26,27)28/h7-10,18-19,31H,11-15H2,1-6H3,(H,29,34)/t18-/m0/s1

>  <InChI Key>
ASROBFZJWMKUSD-SFHVURJKSA-N

