
 CHEMBL2336064

 65 67  0  0  0  0  0  0  0  0999 V2000
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  2 22  1  0  0  0
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  5  6  1  0  0  0
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  7 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2336064

>  <PubChem CID>
59982944

>  <Formula>
C26H30F4N2O3

>  <Molecular Weight>
494.531000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C26H30F4N2O3/c1-17(20-8-9-21(24(27)14-20)15-31-12-11-25(33)34)32-35-16-18-7-10-22(19-5-3-2-4-6-19)23(13-18)26(28,29)30/h7-10,13-14,19,31H,2-6,11-12,15-16H2,1H3,(H,33,34)/b32-17+

>  <InChI Key>
AQEUVBJFUGACMQ-VTNSRFBWSA-N

