
 CHEMBL3263687

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

>  <Chemical Name>
CHEMBL3263687

>  <PubChem CID>
71234040

>  <Formula>
C30H36N4O4

>  <Molecular Weight>
516.642000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCC4CCOC4)NC(=O)C5=CC=CO5

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCC4CCOC4)NC(=O)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C30H36N4O4/c1-22-6-2-3-8-26(22)33-14-16-34(17-15-33)27-11-10-24(20-25(27)32-30(36)28-9-5-18-38-28)29(35)31-13-4-7-23-12-19-37-21-23/h2-3,5-6,8-11,18,20,23H,4,7,12-17,19,21H2,1H3,(H,31,35)(H,32,36)

>  <InChI Key>
GGRKYOFRZUJYAP-UHFFFAOYSA-N

