
 CHEMBL3808949

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3808949

>  <PubChem CID>
71488103

>  <Formula>
C30H36N6O4

>  <Molecular Weight>
544.656000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCNC(=O)NCC=C)NC(=O)C4=CC=CO4

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCNC(=O)NCC=C)NC(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C30H36N6O4/c1-3-13-32-30(39)33-15-7-14-31-28(37)23-11-12-26(24(21-23)34-29(38)27-10-6-20-40-27)36-18-16-35(17-19-36)25-9-5-4-8-22(25)2/h3-6,8-12,20-21H,1,7,13-19H2,2H3,(H,31,37)(H,34,38)(H2,32,33,39)

>  <InChI Key>
DIBJMGVLDGKHAX-UHFFFAOYSA-N

