
 CHEMBL3263680

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263680

>  <PubChem CID>
90676909

>  <Formula>
C31H36N4O4

>  <Molecular Weight>
528.653000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1C2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=CO5

>  <Isomeric SMILES>
CC1=CC=CC=C1C2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C31H36N4O4/c1-22-7-2-3-8-25(22)23-13-18-34(19-14-23)27-12-11-24(21-26(27)33-31(38)28-9-5-20-39-28)30(37)32-15-6-17-35-16-4-10-29(35)36/h2-3,5,7-9,11-12,20-21,23H,4,6,10,13-19H2,1H3,(H,32,37)(H,33,38)

>  <InChI Key>
RTOHMZRZAFCVTC-UHFFFAOYSA-N

