
 CHEMBL3935694

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3935694

>  <PubChem CID>
72703022

>  <Formula>
C29H39N5O2

>  <Molecular Weight>
489.664000

>  <IUPAC Name>
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=NC=C(C=C4)N5CCCC5

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=NC=C(C=C4)N5CCCC5

>  <InChI Std. ID>
InChI=1S/C29H39N5O2/c35-28(31-24-8-2-1-3-9-24)23-13-17-33(18-14-23)21-22-7-6-10-25(19-22)32-29(36)27-12-11-26(20-30-27)34-15-4-5-16-34/h6-7,10-12,19-20,23-24H,1-5,8-9,13-18,21H2,(H,31,35)(H,32,36)

>  <InChI Key>
CXHNWHUJHRHNAJ-UHFFFAOYSA-N

