
 CHEMBL2336069

 72 75  0  0  0  0  0  0  0  0999 V2000
    0.7957    0.2331   -0.1659 C   0  0  0  0  0
    2.3079    0.2922   -0.0758 C   0  0  0  0  0
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    4.3737   -1.5617    2.7676 H   0  0  0  0  0
    1.5208   -3.8330    6.8861 H   0  0  0  0  0
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    1.2358    0.3246    7.6301 H   0  0  0  0  0
    2.3785   -0.0701    6.3549 H   0  0  0  0  0
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    0.4086   -1.5722    6.2746 H   0  0  0  0  0
    4.7631    0.7519   -1.0316 H   0  0  0  0  0
    2.5258    4.9211    0.4158 H   0  0  0  0  0
    1.3647    2.7798    0.6603 H   0  0  0  0  0
    4.2027    6.1915   -0.8202 H   0  0  0  0  0
    5.6889    5.4715   -1.3984 H   0  0  0  0  0
    6.2773    5.0393    0.9221 H   0  0  0  0  0
    5.5813    7.8542    0.3470 H   0  0  0  0  0
    7.0608    7.0389   -0.1753 H   0  0  0  0  0
    7.6895    6.6519    2.2360 H   0  0  0  0  0
    6.2110    7.4522    2.7553 H   0  0  0  0  0
    7.4557   10.5488    2.0923 H   0  0  0  0  0
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    7.7695    1.5599   -2.5833 H   0  0  0  0  0
    7.5033    4.0158   -3.0534 H   0  0  0  0  0
    5.7558    3.7382   -3.4770 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2336069

>  <PubChem CID>
57570486

>  <Formula>
C29H35F3N2O3

>  <Molecular Weight>
516.605000

>  <IUPAC Name>
3-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-cyclopropylphenyl]methylamino]propanoic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(=NOCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)C3=CC(=C(C=C3)CNCCC(=O)O)C4CC4

>  <Isomeric SMILES>
C/C(=N\OCC1=CC(=C(C=C1)C2CCCCC2)C(F)(F)F)/C3=CC(=C(C=C3)CNCCC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C29H35F3N2O3/c1-19(23-10-11-24(17-33-14-13-28(35)36)26(16-23)22-8-9-22)34-37-18-20-7-12-25(21-5-3-2-4-6-21)27(15-20)29(30,31)32/h7,10-12,15-16,21-22,33H,2-6,8-9,13-14,17-18H2,1H3,(H,35,36)/b34-19+

>  <InChI Key>
AMTXHXVQBKEMOV-ALQBTCKLSA-N

