
 CHEMBL187366

 48 52  0  0  0  0  0  0  0  0999 V2000
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    3.2739   -3.2335    3.5862 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL187366

>  <PubChem CID>
11774744

>  <Formula>
C19H17F3N8O

>  <Molecular Weight>
430.395000

>  <IUPAC Name>
2-(furan-2-yl)-5-[4-[(2,3,6-trifluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CN(CCN1CC2=C(C=CC(=C2F)F)F)C3=NC4=NC(=NN4C(=N3)N)C5=CC=CO5

>  <Isomeric SMILES>
C1CN(CCN1CC2=C(C=CC(=C2F)F)F)C3=NC4=NC(=NN4C(=N3)N)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C19H17F3N8O/c20-12-3-4-13(21)15(22)11(12)10-28-5-7-29(8-6-28)18-25-17(23)30-19(26-18)24-16(27-30)14-2-1-9-31-14/h1-4,9H,5-8,10H2,(H2,23,24,25,26,27)

>  <InChI Key>
AXSTVTUNUISZFM-UHFFFAOYSA-N

