General Information of the Compound
| Compound ID |
CP0174414
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| Compound Name |
3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C16H9F3N4S2
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| Molecular Weight |
378.404
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| Canonical SMILES |
FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cccs4)n3n2)c1
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| InChI |
InChI=1S/C16H9F3N4S2/c17-16(18,19)10-3-1-4-11(9-10)25-14-7-6-13-20-21-15(23(13)22-14)12-5-2-8-24-12/h1-9H
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| InChIKey |
LTQSXCVWJSGOEL-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