
 CHEMBL3263663

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263663

>  <PubChem CID>
71233906

>  <Formula>
C31H37N5O4

>  <Molecular Weight>
543.668000

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

>  <XlogP>
3.8

>  <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=C(O5)C

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=C(O5)C

>  <InChI Std. ID>
InChI=1S/C31H37N5O4/c1-22-7-3-4-8-26(22)34-17-19-35(20-18-34)27-12-11-24(21-25(27)33-31(39)28-13-10-23(2)40-28)30(38)32-14-6-16-36-15-5-9-29(36)37/h3-4,7-8,10-13,21H,5-6,9,14-20H2,1-2H3,(H,32,38)(H,33,39)

>  <InChI Key>
AWISNPKZSOEYRY-UHFFFAOYSA-N

