General Information of the Compound
| Compound ID |
CP0566569
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| Compound Name |
3-(benzimidazol-1-ylmethyl)-6-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C19H16N6S
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| Molecular Weight |
360.446
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| Canonical SMILES |
Cc1ccc(cc1C)-c1nn2c(Cn3cnc4ccccc34)nnc2s1
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| InChI |
InChI=1S/C19H16N6S/c1-12-7-8-14(9-13(12)2)18-23-25-17(21-22-19(25)26-18)10-24-11-20-15-5-3-4-6-16(15)24/h3-9,11H,10H2,1-2H3
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| InChIKey |
DXRCZUOLZFZOJM-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