
 SCHEMBL17254991

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M  END

>  <Chemical Name>
SCHEMBL17254991

>  <PubChem CID>
118509841

>  <Formula>
C34H35F7N2O4

>  <Molecular Weight>
668.653000

>  <IUPAC Name>
2-[4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(4-fluoro-2-methylphenyl)-6-(hydroxymethyl)pyridin-2-yl]cyclohexyl]acetic acid

>  <XlogP>
7.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1=C(C=CC(=C1)F)C2=CC(=NC(=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CO)C4CCC(CC4)CC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)F)C2=CC(=NC(=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CO)C4CCC(CC4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C34H35F7N2O4/c1-18-11-24(35)9-10-25(18)26-16-27(20-7-5-19(6-8-20)12-29(45)46)42-28(17-44)30(26)43(4)31(47)32(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h9-11,13-16,19-20,44H,5-8,12,17H2,1-4H3,(H,45,46)

>  <InChI Key>
AOCBCZSDWBMPHN-UHFFFAOYSA-N

