General Information of the Compound
| Compound ID |
CP0536775
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| Compound Name |
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H13ClF3N3OS
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| Molecular Weight |
447.869
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| Canonical SMILES |
Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1)C(F)(F)F
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| InChI |
InChI=1S/C21H13ClF3N3OS/c1-11-13(7-9-18(26-11)21(23,24)25)19(29)27-12-6-8-15(22)14(10-12)20-28-16-4-2-3-5-17(16)30-20/h2-10H,1H3,(H,27,29)
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| InChIKey |
HEMYZNPKDXXSKY-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