General Information of the Compound
| Compound ID |
CP0322344
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| Compound Name |
6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C18H18N6O2S
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| Molecular Weight |
382.449
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| Canonical SMILES |
COc1ccc(OC)c(Sc2ccc3nnc(-c4cn(C)nc4C)n3n2)c1
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| InChI |
InChI=1S/C18H18N6O2S/c1-11-13(10-23(2)21-11)18-20-19-16-7-8-17(22-24(16)18)27-15-9-12(25-3)5-6-14(15)26-4/h5-10H,1-4H3
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| InChIKey |
QLCNPAADINOYLN-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