General Information of the Compound
| Compound ID |
CP0399199
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| Compound Name |
4-((3-(3,5-bis(trifluoromethyl)phenyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid
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| Structure |
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| Formula |
C19H9F6NO3S2
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| Molecular Weight |
477.407
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| Canonical SMILES |
OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C19H9F6NO3S2/c20-18(21,22)11-6-12(19(23,24)25)8-13(7-11)26-15(27)14(31-17(26)30)5-9-1-3-10(4-2-9)16(28)29/h1-8H,(H,28,29)/b14-5-
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| InChIKey |
YEYBZZKVFPGXIA-RZNTYIFUSA-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