
 CHEMBL3936492

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3936492

>  <PubChem CID>
118521923

>  <Formula>
C27H36N4O2

>  <Molecular Weight>
448.611000

>  <IUPAC Name>
N-[3-[[(2S,4S)-4-(cyclohexylcarbamoyl)-2-methylpiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CC(CCN1CC2=CC(=CC=C2)NC(=O)C3=CC(=CN=C3)C)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
C[C@H]1C[C@H](CCN1CC2=CC(=CC=C2)NC(=O)C3=CC(=CN=C3)C)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C27H36N4O2/c1-19-13-23(17-28-16-19)27(33)30-25-10-6-7-21(15-25)18-31-12-11-22(14-20(31)2)26(32)29-24-8-4-3-5-9-24/h6-7,10,13,15-17,20,22,24H,3-5,8-9,11-12,14,18H2,1-2H3,(H,29,32)(H,30,33)/t20-,22-/m0/s1

>  <InChI Key>
BZEQIQNKAMHJMU-UNMCSNQZSA-N

