General Information of the Compound
| Compound ID |
CP0420995
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| Compound Name |
N-[5-[2-(5-chloro-2-methoxyanilino)-5-(4-phenyltriazol-1-yl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C27H26ClN7O2S2
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| Molecular Weight |
580.139
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(nn1)-c1ccccc1
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| InChI |
InChI=1S/C27H26ClN7O2S2/c1-15-22(38-25(29-15)32-24(36)27(2,3)4)21-23(35-14-19(33-34-35)16-9-7-6-8-10-16)39-26(31-21)30-18-13-17(28)11-12-20(18)37-5/h6-14H,1-5H3,(H,30,31)(H,29,32,36)
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| InChIKey |
IFHVJVREDLRSPN-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