General Information of the Compound
| Compound ID |
CP0343988
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| Compound Name |
6-[4-(trifluoromethyl)phenyl]sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
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| Structure |
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| Formula |
C12H7F3N4OS
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| Molecular Weight |
312.276
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| Canonical SMILES |
FC(F)(F)c1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1
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| InChI |
InChI=1S/C12H7F3N4OS/c13-12(14,15)7-1-3-8(4-2-7)21-10-6-5-9-16-17-11(20)19(9)18-10/h1-6H,(H,17,20)
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| InChIKey |
CTEVAUWRCVUIGU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound