
 CHEMBL3263667

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

>  <Chemical Name>
CHEMBL3263667

>  <PubChem CID>
71233981

>  <Formula>
C32H38N6O4

>  <Molecular Weight>
570.694000

>  <IUPAC Name>
2-cyclopropyl-N-[2-[4-(2-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=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C6CC6

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C6CC6

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

>  <InChI Key>
BUGHVZIQXBALLZ-UHFFFAOYSA-N

