General Information of the Compound
| Compound ID |
CP0555681
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| Compound Name |
3-[[2-tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C30H23Cl3N8O2S2
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| Molecular Weight |
698.061
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| Canonical SMILES |
CC(C)(C)c1cc(OCc2nnc3sc(nn23)-c2ccc(Cl)cc2)c(Cl)cc1OCc1nnc2sc(nn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H23Cl3N8O2S2/c1-30(2,3)20-12-23(43-15-25-35-37-29-41(25)39-27(45-29)17-6-10-19(32)11-7-17)21(33)13-22(20)42-14-24-34-36-28-40(24)38-26(44-28)16-4-8-18(31)9-5-16/h4-13H,14-15H2,1-3H3
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| InChIKey |
KHDWKMJGYNIYPT-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