General Information of the Compound
| Compound ID |
CP0506352
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| Compound Name |
methyl 1-[2-(5-chloro-2-methoxyanilino)-4-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]triazole-4-carboxylate
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| Structure |
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| Formula |
C23H24ClN7O4S2
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| Molecular Weight |
562.077
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| Canonical SMILES |
COC(=O)c1cn(nn1)-c1sc(Nc2cc(Cl)ccc2OC)nc1-c1sc(NC(=O)C(C)(C)C)nc1C
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| InChI |
InChI=1S/C23H24ClN7O4S2/c1-11-17(36-21(25-11)28-20(33)23(2,3)4)16-18(31-10-14(29-30-31)19(32)35-6)37-22(27-16)26-13-9-12(24)7-8-15(13)34-5/h7-10H,1-6H3,(H,26,27)(H,25,28,33)
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| InChIKey |
ZOEDZWVFNYQNLS-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