
 CHEMBL3264231

 59 61  0  0  0  0  0  0  0  0999 V2000
    6.9805    2.4040    2.0919 C   0  0  0  0  0
    6.0787    1.3524    1.7680 O   0  0  0  0  0
    4.9957    1.7186    1.0090 C   0  0  0  0  0
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    8.2074   -0.2964   -2.0990 O   0  0  0  0  0
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    2.3236   -0.9907   -0.9406 C   0  0  0  0  0
    2.5180    4.5259    0.4280 C   0  0  0  0  0
    3.1295    5.7157    0.3378 C   0  0  0  0  0
    2.3023    6.9430    0.3524 C   0  0  0  0  0
    1.1974    6.9801    0.8805 O   0  0  0  0  0
    2.7966    8.0393   -0.2866 N   0  0  0  0  0
    3.9946    8.1696   -1.1029 C   0  0  0  0  0
    3.8351    7.5679   -2.5023 C   0  0  0  0  0
    5.0647    7.6938   -3.2768 N   0  0  0  0  0
    6.0853    6.7549   -3.2541 C   0  0  0  0  0
    6.2003    5.5207   -2.5897 C   0  0  0  0  0
    7.3789    4.7867   -2.7550 C   0  0  0  0  0
    8.4128    5.2636   -3.5538 C   0  0  0  0  0
    8.2904    6.4887   -4.2158 C   0  0  0  0  0
    7.1108    7.2442   -4.0656 C   0  0  0  0  0
    6.6746    8.4864   -4.5886 C   0  0  0  0  0
    5.4089    8.7517   -4.0966 C   0  0  0  0  0
    4.5404    9.9265   -4.3767 C   0  0  0  0  0
    5.2705   11.0431   -4.6285 F   0  0  0  0  0
    3.7487    9.7137   -5.4568 F   0  0  0  0  0
    3.7204   10.2302   -3.3374 F   0  0  0  0  0
    6.5856    3.0233    2.9025 H   0  0  0  0  0
    7.2204    3.0126    1.2129 H   0  0  0  0  0
    7.9104    1.9471    2.4442 H   0  0  0  0  0
    4.6693    3.6736    1.8771 H   0  0  0  0  0
    1.8908    2.5055   -1.1950 H   0  0  0  0  0
    5.5740    0.1600   -2.0196 H   0  0  0  0  0
    5.8628   -1.5149   -1.6086 H   0  0  0  0  0
    7.8080   -0.8671   -0.1597 H   0  0  0  0  0
    7.5245    0.8282   -0.5374 H   0  0  0  0  0
    8.1740   -1.2241   -2.3899 H   0  0  0  0  0
    1.4799   -1.3475   -1.5385 H   0  0  0  0  0
    1.9556   -0.7930    0.0726 H   0  0  0  0  0
    3.0823   -1.7781   -0.9246 H   0  0  0  0  0
    1.4341    4.4640    0.5102 H   0  0  0  0  0
    4.2025    5.8002    0.2323 H   0  0  0  0  0
    2.1523    8.8239   -0.2639 H   0  0  0  0  0
    4.8369    7.7141   -0.5734 H   0  0  0  0  0
    4.2107    9.2413   -1.1691 H   0  0  0  0  0
    3.0216    8.0457   -3.0585 H   0  0  0  0  0
    3.5760    6.5048   -2.4546 H   0  0  0  0  0
    5.4022    5.1235   -1.9717 H   0  0  0  0  0
    7.4873    3.8250   -2.2571 H   0  0  0  0  0
    9.3203    4.6769   -3.6724 H   0  0  0  0  0
    9.0990    6.8514   -4.8441 H   0  0  0  0  0
    7.2290    9.1271   -5.2636 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
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 10 40  1  0  0  0
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 31 34  1  0  0  0
 31 33  1  0  0  0
 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3264231

>  <PubChem CID>
90677068

>  <Formula>
C24H25F3N2O5

>  <Molecular Weight>
478.468000

>  <IUPAC Name>
(E)-3-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=CC(=C1OCCO)OC)C=CC(=O)NCCN2C3=CC=CC=C3C=C2C(F)(F)F

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OCCO)OC)/C=C/C(=O)NCCN2C3=CC=CC=C3C=C2C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H25F3N2O5/c1-32-19-13-16(14-20(33-2)23(19)34-12-11-30)7-8-22(31)28-9-10-29-18-6-4-3-5-17(18)15-21(29)24(25,26)27/h3-8,13-15,30H,9-12H2,1-2H3,(H,28,31)/b8-7+

>  <InChI Key>
CSDOJXMHPWNFON-BQYQJAHWSA-N

