General Information of the Compound
| Compound ID |
CP0926459
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| Compound Name |
sodium 2-(6-chloro-3-(2,2,2-trifluoroethyl)-1H-indol-1-yl)thiazole-4-carboxylate
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| Structure |
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| Formula |
C14H7ClF3N2NaO2S
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| Molecular Weight |
382.726
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| Canonical SMILES |
O=C([O-])c1csc(-n2cc(CC(F)(F)F)c3ccc(Cl)cc32)n1.[Na+]
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| InChI |
InChI=1S/C14H8ClF3N2O2S.Na/c15-8-1-2-9-7(4-14(16,17)18)5-20(11(9)3-8)13-19-10(6-23-13)12(21)22;/h1-3,5-6H,4H2,(H,21,22);/q;+1/p-1
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| InChIKey |
CYSFQJITDIAQMR-UHFFFAOYSA-M
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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