General Information of the Compound
| Compound ID |
CP0570203
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| Compound Name |
1-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole
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| Structure |
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| Formula |
C18H13N7O2S
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| Molecular Weight |
391.416
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| Canonical SMILES |
C(c1nnc2sc(nn12)-c1ccc2OCCOc2c1)n1nnc2ccccc12
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| InChI |
InChI=1S/C18H13N7O2S/c1-2-4-13-12(3-1)19-23-24(13)10-16-20-21-18-25(16)22-17(28-18)11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9H,7-8,10H2
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| InChIKey |
ZDFSRZOEMLNZQI-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