General Information of the Compound
| Compound ID |
CP0416983
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| Compound Name |
6-(1,3-benzodioxol-5-yl)-3-(benzotriazol-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C17H11N7O2S
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| Molecular Weight |
377.389
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| Canonical SMILES |
C(c1nnc2sc(nn12)-c1ccc2OCOc2c1)n1nnc2ccccc12
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| InChI |
InChI=1S/C17H11N7O2S/c1-2-4-12-11(3-1)18-22-23(12)8-15-19-20-17-24(15)21-16(27-17)10-5-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2
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| InChIKey |
OMJCQXZLUQBYND-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