General Information of the Compound
| Compound ID |
CP0577654
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| Compound Name |
6-(1-methylpyrazol-4-yl)-3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C17H13N7S
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| Molecular Weight |
347.407
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| Canonical SMILES |
Cn1cc(cn1)-c1nn2c(Cc3ccc4ncccc4c3)nnc2s1
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| InChI |
InChI=1S/C17H13N7S/c1-23-10-13(9-19-23)16-22-24-15(20-21-17(24)25-16)8-11-4-5-14-12(7-11)3-2-6-18-14/h2-7,9-10H,8H2,1H3
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| InChIKey |
VFGCZGJBQCVQGY-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