General Information of the Compound
| Compound ID |
CP0497731
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| Compound Name |
4-[[4-Oxo-2-thioxo-3-[2-methyl-3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl] benzoic acid
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| Structure |
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| Formula |
C19H12F3NO3S2
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| Molecular Weight |
423.437
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| Canonical SMILES |
Cc1c(cccc1C(F)(F)F)N1C(=S)S\C(=C/c2ccc(cc2)C(O)=O)C1=O
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| InChI |
InChI=1S/C19H12F3NO3S2/c1-10-13(19(20,21)22)3-2-4-14(10)23-16(24)15(28-18(23)27)9-11-5-7-12(8-6-11)17(25)26/h2-9H,1H3,(H,25,26)/b15-9-
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| InChIKey |
LNEGIXUMKCYNOV-DHDCSXOGSA-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