General Information of the Compound
| Compound ID |
CP0480455
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| Compound Name |
6-(2,5-dimethoxyphenyl)sulfanyl-3-(5-methoxypyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
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| Structure |
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| Formula |
C19H17N5O3S
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| Molecular Weight |
395.444
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| Canonical SMILES |
COc1ccc(OC)c(Sc2ccc3nnc(-c4cncc(OC)c4)n3n2)c1
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| InChI |
InChI=1S/C19H17N5O3S/c1-25-13-4-5-15(27-3)16(9-13)28-18-7-6-17-21-22-19(24(17)23-18)12-8-14(26-2)11-20-10-12/h4-11H,1-3H3
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| InChIKey |
ACILOMYAPHBUOV-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