General Information of the Compound
| Compound ID |
CP0459616
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| Compound Name |
4-((3-(4-chloro-3-(trifluoromethyl)phenyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid
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| Structure |
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| Formula |
C18H9ClF3NO3S2
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| Molecular Weight |
443.855
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| Canonical SMILES |
OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H9ClF3NO3S2/c19-13-6-5-11(8-12(13)18(20,21)22)23-15(24)14(28-17(23)27)7-9-1-3-10(4-2-9)16(25)26/h1-8H,(H,25,26)/b14-7-
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| InChIKey |
VQONRQQPIOMWKG-AUWJEWJLSA-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