
 CHEMBL280297

 58 62  0  0  0  0  0  0  0  0999 V2000
   13.3017    4.1250    1.2164 C   0  0  0  0  0
   13.0244    5.5201    1.1805 O   0  0  0  0  0
   11.7114    5.8917    1.0889 C   0  0  0  0  0
   11.4497    7.1733    0.5631 C   0  0  0  0  0
   10.1137    7.6244    0.4609 C   0  0  0  0  0
    9.0771    6.8118    0.8870 C   0  0  0  0  0
    9.3509    5.5558    1.4166 C   0  0  0  0  0
   10.6531    5.0836    1.5271 C   0  0  0  0  0
    8.0996    4.8476    1.8199 C   0  0  0  0  0
    7.0203    5.8837    1.4836 C   0  0  0  0  0
    7.6862    7.0585    0.8929 N   0  0  0  0  0
    7.0802    8.2156    0.4097 C   0  0  0  0  0
    7.7173    9.1182   -0.1278 O   0  0  0  0  0
    5.7045    8.2506    0.5829 N   0  0  0  0  0
    4.8069    9.2673    0.1761 C   0  0  0  0  0
    3.4414    9.0546    0.4119 C   0  0  0  0  0
    2.4648    9.9829    0.0057 C   0  0  0  0  0
    2.9088   11.1439   -0.6566 C   0  0  0  0  0
    4.2716   11.4152   -0.8777 C   0  0  0  0  0
    5.2019   10.4550   -0.4422 C   0  0  0  0  0
    4.7178   12.6615   -1.5380 C   0  0  0  0  0
    4.0840   13.8894   -1.3261 C   0  0  0  0  0
    4.4462   15.0690   -1.8924 N   0  0  0  0  0
    5.5149   15.0397   -2.7129 C   0  0  0  0  0
    6.2285   13.8901   -2.9967 C   0  0  0  0  0
    5.8194   12.6944   -2.4065 C   0  0  0  0  0
    1.0225    9.7568    0.2652 C   0  0  0  0  0
    0.4450    8.4788    0.1594 C   0  0  0  0  0
   -0.9160    8.2700    0.4103 C   0  0  0  0  0
   -1.7338    9.3393    0.7625 C   0  0  0  0  0
   -1.1907   10.6147    0.8703 C   0  0  0  0  0
    0.1721   10.8179    0.6305 C   0  0  0  0  0
   12.5333    8.1083    0.0780 C   0  0  0  0  0
   12.3764    8.4246   -1.2418 F   0  0  0  0  0
   12.5115    9.3027    0.7398 F   0  0  0  0  0
   13.8142    7.6609    0.1869 F   0  0  0  0  0
   14.3785    3.9968    1.0721 H   0  0  0  0  0
   12.7904    3.5952    0.4059 H   0  0  0  0  0
   13.0441    3.7003    2.1911 H   0  0  0  0  0
    9.9248    8.6128    0.0501 H   0  0  0  0  0
   10.8221    4.1069    1.9661 H   0  0  0  0  0
    8.0992    4.6096    2.8880 H   0  0  0  0  0
    7.9603    3.9309    1.2384 H   0  0  0  0  0
    6.4788    6.1980    2.3831 H   0  0  0  0  0
    6.2937    5.4844    0.7667 H   0  0  0  0  0
    5.2826    7.4550    1.0295 H   0  0  0  0  0
    3.1262    8.1528    0.9312 H   0  0  0  0  0
    2.1664   11.8496   -1.0276 H   0  0  0  0  0
    6.2555   10.6697   -0.5867 H   0  0  0  0  0
    3.2353   13.9754   -0.6522 H   0  0  0  0  0
    5.7935   15.9945   -3.1489 H   0  0  0  0  0
    7.0855   13.9183   -3.6606 H   0  0  0  0  0
    6.3736   11.7868   -2.6361 H   0  0  0  0  0
    1.0478    7.6239   -0.1379 H   0  0  0  0  0
   -1.3368    7.2714    0.3232 H   0  0  0  0  0
   -2.7924    9.1793    0.9509 H   0  0  0  0  0
   -1.8239   11.4548    1.1436 H   0  0  0  0  0
    0.5656   11.8259    0.7446 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 46  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 25 26  2  0  0  0
 25 52  1  0  0  0
 26 53  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 29 30  2  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 31 32  2  0  0  0
 31 57  1  0  0  0
 32 58  1  0  0  0
 33 36  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL280297

>  <PubChem CID>
10767350

>  <Formula>
C28H22F3N3O2

>  <Molecular Weight>
489.498000

>  <IUPAC Name>
5-methoxy-N-(3-phenyl-5-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC(=CC(=C3)C4=CN=CC=C4)C5=CC=CC=C5)C(F)(F)F

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC(=CC(=C3)C4=CN=CC=C4)C5=CC=CC=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C28H22F3N3O2/c1-36-26-15-19-9-11-34(25(19)16-24(26)28(29,30)31)27(35)33-23-13-21(18-6-3-2-4-7-18)12-22(14-23)20-8-5-10-32-17-20/h2-8,10,12-17H,9,11H2,1H3,(H,33,35)

>  <InChI Key>
AQKLFYUGEBTKMZ-UHFFFAOYSA-N

