
 CHEMBL3263671

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263671

>  <PubChem CID>
71233930

>  <Formula>
C31H36N6O3

>  <Molecular Weight>
540.668000

>  <IUPAC Name>
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]pyridine-2-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=CC=N5

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C31H36N6O3/c1-23-8-2-3-10-27(23)35-18-20-36(21-19-35)28-13-12-24(22-26(28)34-31(40)25-9-4-5-14-32-25)30(39)33-15-7-17-37-16-6-11-29(37)38/h2-5,8-10,12-14,22H,6-7,11,15-21H2,1H3,(H,33,39)(H,34,40)

>  <InChI Key>
IRSKDQXJDQKMTL-UHFFFAOYSA-N

