
 CHEMBL3923474

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3923474

>  <PubChem CID>
129626061

>  <Formula>
C30H41N5O2

>  <Molecular Weight>
503.691000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)NC(=O)C2=NC=C(C=C2)N3CCCC3)N4CCC(CC4)C(=O)NC5CCCCC5

>  <Isomeric SMILES>
CC(C1=CC(=CC=C1)NC(=O)C2=NC=C(C=C2)N3CCCC3)N4CCC(CC4)C(=O)NC5CCCCC5

>  <InChI Std. ID>
InChI=1S/C30H41N5O2/c1-22(34-18-14-23(15-19-34)29(36)32-25-9-3-2-4-10-25)24-8-7-11-26(20-24)33-30(37)28-13-12-27(21-31-28)35-16-5-6-17-35/h7-8,11-13,20-23,25H,2-6,9-10,14-19H2,1H3,(H,32,36)(H,33,37)

>  <InChI Key>
CRVQMWXEIODKSL-UHFFFAOYSA-N

