General Information of the Compound
| Compound ID |
CP0465737
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| Compound Name |
3-(benzotriazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C20H19N7S
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| Molecular Weight |
389.488
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1
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| InChI |
InChI=1S/C20H19N7S/c1-20(2,3)14-10-8-13(9-11-14)18-24-27-17(22-23-19(27)28-18)12-26-16-7-5-4-6-15(16)21-25-26/h4-11H,12H2,1-3H3
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| InChIKey |
ZZOSYONRCIQDEH-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