
 CHEMBL3263693

 81 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263693

>  <PubChem CID>
90676910

>  <Formula>
C32H40N6O3

>  <Molecular Weight>
556.711000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)CNCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C6CC6

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)CNCCCN4CCCC4=O)NC(=O)C5=COC(=N5)C6CC6

>  <InChI Std. ID>
InChI=1S/C32H40N6O3/c1-23-6-2-3-7-28(23)36-16-18-37(19-17-36)29-12-9-24(21-33-13-5-15-38-14-4-8-30(38)39)20-26(29)34-31(40)27-22-41-32(35-27)25-10-11-25/h2-3,6-7,9,12,20,22,25,33H,4-5,8,10-11,13-19,21H2,1H3,(H,34,40)

>  <InChI Key>
HOFKLQRGJIWREF-UHFFFAOYSA-N

