
 MLS000082992

 37 41  0  0  0  0  0  0  0  0999 V2000
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   -2.8879   -3.9462    0.4270 N   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000082992

>  <PubChem CID>
665554

>  <Formula>
C16H13FN6S

>  <Molecular Weight>
340.380000

>  <IUPAC Name>
6-(4-fluorophenyl)-3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC2=C(C1)NN=C2C3=NN=C4N3N=C(CS4)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CC2=C(C1)NN=C2C3=NN=C4N3N=C(CS4)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C16H13FN6S/c17-10-6-4-9(5-7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-2-1-3-12(11)18-19-14/h4-7H,1-3,8H2,(H,18,19)

>  <InChI Key>
ACVBVAZZTCFOQR-UHFFFAOYSA-N

