General Information of the Compound
| Compound ID |
CP0064440
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| Compound Name |
6-(2,5-dimethoxyphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C19H16N4O2S
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| Molecular Weight |
364.43
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| Canonical SMILES |
COc1ccc(OC)c(Sc2ccc3nnc(-c4ccccc4)n3n2)c1
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| InChI |
InChI=1S/C19H16N4O2S/c1-24-14-8-9-15(25-2)16(12-14)26-18-11-10-17-20-21-19(23(17)22-18)13-6-4-3-5-7-13/h3-12H,1-2H3
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| InChIKey |
CXXFFIHMLWJXEX-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