
 CHEMBL3263666

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263666

>  <PubChem CID>
71233958

>  <Formula>
C30H36N6O4

>  <Molecular Weight>
544.656000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C

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

>  <InChI Key>
DLPONEIRGXTAOH-UHFFFAOYSA-N

