General Information of the Compound
| Compound ID |
CP0436943
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| Compound Name |
4-[[4-Oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinyl]methyl]benzoic acid
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| Structure |
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| Formula |
C18H12F3NO3S2
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| Molecular Weight |
411.426
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| Canonical SMILES |
OC(=O)c1ccc(CC2SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H12F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-7,9,14H,8H2,(H,24,25)
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| InChIKey |
BJMYWSXCMNXLSL-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