
 CHEMBL3263694

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263694

>  <PubChem CID>
71233904

>  <Formula>
C30H35N5O4

>  <Molecular Weight>
529.641000

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

>  <XlogP>
3.4

>  <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=CO5

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

>  <InChI Std. ID>
InChI=1S/C30H35N5O4/c1-22-7-2-3-8-25(22)33-16-18-34(19-17-33)26-12-11-23(21-24(26)32-30(38)27-9-5-20-39-27)29(37)31-13-6-15-35-14-4-10-28(35)36/h2-3,5,7-9,11-12,20-21H,4,6,10,13-19H2,1H3,(H,31,37)(H,32,38)

>  <InChI Key>
HFQNWYCMQFVDDL-UHFFFAOYSA-N

