
 CHEMBL3314303

 65 69  0  0  0  0  0  0  0  0999 V2000
    0.7699    1.5702   -0.6667 C   0  0  0  0  0
    1.9541    0.8422   -0.0128 C   0  0  0  0  0
    2.5046    1.7115    1.1632 C   0  0  0  0  0
    2.5432    0.9048    2.4087 N   0  0  0  0  0
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    1.9710   -2.4339   -4.4271 F   0  0  0  0  0
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    4.6036   -0.1364    3.2580 C   0  0  0  0  0
    5.8913   -0.0458    3.7917 C   0  0  0  0  0
    6.4117    1.1932    4.1460 C   0  0  0  0  0
    5.6287    2.3378    4.0102 C   0  0  0  0  0
    4.3038    2.2429    3.5599 C   0  0  0  0  0
    3.5454    3.4382    3.6032 N   0  0  0  0  0
    2.2087    3.5503    3.8574 C   0  0  0  0  0
    1.5337    4.3874    3.2585 O   0  0  0  0  0
    1.6378    2.7407    4.8009 N   0  0  0  0  0
    2.1826    2.3220    6.0341 C   0  0  0  0  0
    3.3313    2.8936    6.5857 C   0  0  0  0  0
    3.8619    2.4109    7.7834 C   0  0  0  0  0
    3.2496    1.3567    8.4558 C   0  0  0  0  0
    2.0467    0.8446    7.9644 C   0  0  0  0  0
    1.5155    1.3321    6.7606 C   0  0  0  0  0
    3.9135    0.9432    9.5715 O   0  0  0  0  0
    3.6726   -0.3762   10.0286 C   0  0  0  0  0
    4.7356   -0.7726   10.7654 F   0  0  0  0  0
    2.5774   -0.4058   10.8157 F   0  0  0  0  0
    3.5231   -1.2558    9.0154 F   0  0  0  0  0
    3.0773    0.6406   -1.0390 C   0  0  0  0  0
   -0.0406    1.7422    0.0517 H   0  0  0  0  0
    0.3500    1.0016   -1.5021 H   0  0  0  0  0
    1.0808    2.5459   -1.0584 H   0  0  0  0  0
    1.8465    2.5713    1.3323 H   0  0  0  0  0
    3.4894    2.1275    0.9089 H   0  0  0  0  0
    0.4758   -3.1451    3.2816 H   0  0  0  0  0
   -0.0068   -3.4600    0.8940 H   0  0  0  0  0
   -1.6626   -1.9746   -0.7482 H   0  0  0  0  0
   -0.5866   -2.7679   -4.8159 H   0  0  0  0  0
    2.4846   -1.9347   -1.9548 H   0  0  0  0  0
    2.0685   -0.2086    4.4171 H   0  0  0  0  0
    4.2577   -1.1156    2.9352 H   0  0  0  0  0
    6.4921   -0.9448    3.9077 H   0  0  0  0  0
    7.4189    1.2645    4.5484 H   0  0  0  0  0
    6.0352    3.2924    4.3340 H   0  0  0  0  0
    3.9848    4.2742    3.2453 H   0  0  0  0  0
    0.6405    2.6243    4.6806 H   0  0  0  0  0
    3.8317    3.7293    6.1088 H   0  0  0  0  0
    4.7710    2.8575    8.1813 H   0  0  0  0  0
    1.5059    0.0595    8.4832 H   0  0  0  0  0
    0.5932    0.8937    6.3800 H   0  0  0  0  0
    3.8349   -0.0655   -0.6821 H   0  0  0  0  0
    3.5812    1.5887   -1.2636 H   0  0  0  0  0
    2.6949    0.2821   -1.9972 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  3  4  1  0  0  0
  3 45  1  0  0  0
  3 46  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7 47  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
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 20 21  2  0  0  0
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 27 29  1  0  0  0
 27 28  2  0  0  0
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 31 32  1  0  0  0
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 32 33  2  0  0  0
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 33 34  1  0  0  0
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 34 35  2  0  0  0
 34 61  1  0  0  0
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 36 37  1  0  0  0
 37 40  1  0  0  0
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 41 63  1  0  0  0
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 41 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3314303

>  <PubChem CID>
90062983

>  <Formula>
C30H24F5N3O3

>  <Molecular Weight>
569.532000

>  <IUPAC Name>
1-[2-[4-(3,5-difluorophenyl)-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1(CN(C2=C(C=CC(=C21)C3=CC(=CC(=C3)F)F)O)C4=CC=CC=C4NC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C

>  <Isomeric SMILES>
CC1(CN(C2=C(C=CC(=C21)C3=CC(=CC(=C3)F)F)O)C4=CC=CC=C4NC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C30H24F5N3O3/c1-29(2)16-38(27-25(39)12-11-22(26(27)29)17-13-18(31)15-19(32)14-17)24-6-4-3-5-23(24)37-28(40)36-20-7-9-21(10-8-20)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)

>  <InChI Key>
AJKDKZYPHZFUTF-UHFFFAOYSA-N

