General Information of the Compound
| Compound ID |
CP0131136
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| Compound Name |
5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine
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| Structure |
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| Formula |
C17H16N6O2S
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| Molecular Weight |
368.422
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| Canonical SMILES |
COc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1
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| InChI |
InChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)23-17-13(20-21-23)5-7-16(19-17)26-15-8-12(24-2)4-6-14(15)25-3/h4-10H,1-3H3
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| InChIKey |
WJLXVWHIKZULBT-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