
 CHEMBL3263688

 78 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3263688

>  <PubChem CID>
71234104

>  <Formula>
C33H36N6O3

>  <Molecular Weight>
564.690000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCC4=CC=NC=C4)NC(=O)C5=COC(=N5)C6CC6

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCC4=CC=NC=C4)NC(=O)C5=COC(=N5)C6CC6

>  <InChI Std. ID>
InChI=1S/C33H36N6O3/c1-23-5-2-3-7-29(23)38-17-19-39(20-18-38)30-11-10-26(31(40)35-14-4-6-24-12-15-34-16-13-24)21-27(30)36-32(41)28-22-42-33(37-28)25-8-9-25/h2-3,5,7,10-13,15-16,21-22,25H,4,6,8-9,14,17-20H2,1H3,(H,35,40)(H,36,41)

>  <InChI Key>
HAIXILRCGSWPAO-UHFFFAOYSA-N

