
 CHEMBL3924510

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3924510

>  <PubChem CID>
129625991

>  <Formula>
C24H29F3N6O2

>  <Molecular Weight>
490.531000

>  <IUPAC Name>
N-[2-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]pyrimidin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=NC=CC(=N3)NC(=O)C4=NC(=CC=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=NC=CC(=N3)NC(=O)C4=NC(=CC=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H29F3N6O2/c25-24(26,27)19-8-4-7-18(30-19)23(35)32-20-9-12-28-21(31-20)15-33-13-10-16(11-14-33)22(34)29-17-5-2-1-3-6-17/h4,7-9,12,16-17H,1-3,5-6,10-11,13-15H2,(H,29,34)(H,28,31,32,35)

>  <InChI Key>
BUEKMZAAXYBCJP-UHFFFAOYSA-N

