
 CHEMBL3946666

 66 69  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3946666

>  <PubChem CID>
72705602

>  <Formula>
C26H31F3N4O2

>  <Molecular Weight>
488.555000

>  <IUPAC Name>
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC(=CN=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC(=CN=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H31F3N4O2/c27-26(28,29)21-14-20(15-30-16-21)25(35)32-23-8-4-5-18(13-23)17-33-11-9-19(10-12-33)24(34)31-22-6-2-1-3-7-22/h4-5,8,13-16,19,22H,1-3,6-7,9-12,17H2,(H,31,34)(H,32,35)

>  <InChI Key>
CRYWTAHXYGPGSZ-UHFFFAOYSA-N

