
 CHEMBL3929887

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3929887

>  <PubChem CID>
129625942

>  <Formula>
C29H34N4O2

>  <Molecular Weight>
470.617000

>  <IUPAC Name>
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-8-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC=CC5=C4C=NC=C5

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC=CC5=C4C=NC=C5

>  <InChI Std. ID>
InChI=1S/C29H34N4O2/c34-28(31-24-8-2-1-3-9-24)23-13-16-33(17-14-23)20-21-6-4-10-25(18-21)32-29(35)26-11-5-7-22-12-15-30-19-27(22)26/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17,20H2,(H,31,34)(H,32,35)

>  <InChI Key>
CBEAPPSWJHTQSO-UHFFFAOYSA-N

