
 SCHEMBL2959176

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    5.6075   -3.0365   -1.7874 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2959176

>  <PubChem CID>
24853385

>  <Formula>
C19H18N6O3

>  <Molecular Weight>
378.392000

>  <IUPAC Name>
4-[4-methyl-5-[(1R)-1-[5-(3-methylphenyl)-1,2-oxazol-3-yl]ethoxy]-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=CC(=C1)C2=CC(=NO2)C(C)OC3=NN=C(N3C)C4=CC(=O)NN=C4

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C2=CC(=NO2)[C@@H](C)OC3=NN=C(N3C)C4=CC(=O)NN=C4

>  <InChI Std. ID>
InChI=1S/C19H18N6O3/c1-11-5-4-6-13(7-11)16-9-15(24-28-16)12(2)27-19-23-22-18(25(19)3)14-8-17(26)21-20-10-14/h4-10,12H,1-3H3,(H,21,26)/t12-/m1/s1

>  <InChI Key>
AKSJTVFPGONAJS-GFCCVEGCSA-N

