General Information of the Compound
| Compound ID |
CP0579670
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| Compound Name |
6-(3-propan-2-yloxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
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| Structure |
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| Formula |
C14H14N4O2S
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| Molecular Weight |
302.359
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| Canonical SMILES |
CC(C)Oc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1
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| InChI |
InChI=1S/C14H14N4O2S/c1-9(2)20-10-4-3-5-11(8-10)21-13-7-6-12-15-16-14(19)18(12)17-13/h3-9H,1-2H3,(H,16,19)
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| InChIKey |
KBWSNTCERLVXPT-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