
 CHEMBL3263661

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

>  <Chemical Name>
CHEMBL3263661

>  <PubChem CID>
71224861

>  <Formula>
C31H37N5O4

>  <Molecular Weight>
543.668000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)N(C)C(=O)C5=CC=CO5

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)N(C)C(=O)C5=CC=CO5

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

>  <InChI Key>
LNFBSGHSORYNDZ-UHFFFAOYSA-N

