
 CHEMBL595388

 46 49  0  0  0  0  0  0  0  0999 V2000
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   11.8057    3.0985   -0.1403 O   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL595388

>  <PubChem CID>
22137720

>  <Formula>
C22H20N2O2

>  <Molecular Weight>
344.414000

>  <IUPAC Name>
5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=CC=C(C=C1)C2=CC3=C(C(=NO3)C4=CC=CC=C4)C(=O)N2C

>  <Isomeric SMILES>
CCCC1=CC=C(C=C1)C2=CC3=C(C(=NO3)C4=CC=CC=C4)C(=O)N2C

>  <InChI Std. ID>
InChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3

>  <InChI Key>
NRGQTIMDGBRDBQ-UHFFFAOYSA-N

