
 CHEMBL3263676

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263676

>  <PubChem CID>
71234119

>  <Formula>
C32H38N6O4

>  <Molecular Weight>
570.694000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C6CC6

>  <Isomeric SMILES>
CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C6CC6

>  <InChI Std. ID>
InChI=1S/C32H38N6O4/c1-22-5-2-6-25(19-22)36-15-17-37(18-16-36)28-11-10-24(30(40)33-12-4-14-38-13-3-7-29(38)39)20-26(28)34-31(41)27-21-42-32(35-27)23-8-9-23/h2,5-6,10-11,19-21,23H,3-4,7-9,12-18H2,1H3,(H,33,40)(H,34,41)

>  <InChI Key>
DVQSQIRHGOZEID-UHFFFAOYSA-N

