
 CHEMBL461571

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.3056    0.1357   -1.2961 C   0  0  0  0  0
    2.7173   -0.1185   -0.8791 C   0  0  0  0  0
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    3.8657    3.2890    4.5503 O   0  0  0  0  0
    4.0110    2.3007    5.5718 C   0  0  0  0  0
    2.8816    2.3362    6.6010 C   0  0  0  0  0
    4.3074    0.8683    5.1246 C   0  0  0  0  0
    3.5269   -0.0738    5.1023 O   0  0  0  0  0
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    7.2375   -1.0355   -0.3946 C   0  0  0  0  0
    6.0184   -1.6861   -0.6101 C   0  0  0  0  0
    8.4058    1.0826    0.0090 O   0  0  0  0  0
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   10.5582    1.5234   -0.4824 F   0  0  0  0  0
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   -0.7030   -4.2887    0.2605 C   0  0  0  0  0
   -0.0782   -4.8420   -0.8539 C   0  0  0  0  0
    1.1182   -4.2907   -1.3206 C   0  0  0  0  0
   -2.1822   -4.9564    0.8297 Cl  0  0  0  0  0
    0.9108   -0.6950   -1.8892 H   0  0  0  0  0
    1.2318    1.0242   -1.9305 H   0  0  0  0  0
    0.6604    0.2693   -0.4242 H   0  0  0  0  0
    2.4589    2.5748   -0.9714 H   0  0  0  0  0
    4.0605    2.9229   -0.3848 H   0  0  0  0  0
    4.5832    2.6296    2.1529 H   0  0  0  0  0
    1.2116    3.4411    4.6832 H   0  0  0  0  0
   -0.3196    3.0586    2.7917 H   0  0  0  0  0
    0.5667    2.5269    0.5580 H   0  0  0  0  0
    4.9049    2.6127    6.1296 H   0  0  0  0  0
    1.9704    1.8624    6.2219 H   0  0  0  0  0
    2.6331    3.3669    6.8749 H   0  0  0  0  0
    3.1664    1.7906    7.5073 H   0  0  0  0  0
    5.6477   -0.2582    4.5134 H   0  0  0  0  0
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    1.6040   -4.7346   -2.1887 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4 23  1  0  0  0
  4  5  2  0  0  0
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  5 20  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 11  2  0  0  0
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 14 15  1  0  0  0
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 31 32  2  0  0  0
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 36 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL461571

>  <PubChem CID>
44190762

>  <Formula>
C27H21ClF3NO5

>  <Molecular Weight>
531.912000

>  <IUPAC Name>
(2R)-2-[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]propanoic acid

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C2=C(N1CC3=CC(=CC=C3)OC(C)C(=O)O)C=C(C=C2)OC(F)(F)F)C(=O)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=C(C2=C(N1CC3=CC(=CC=C3)O[C@H](C)C(=O)O)C=C(C=C2)OC(F)(F)F)C(=O)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1

>  <InChI Key>
DHUATBAZHILHIC-MRXNPFEDSA-N

