General Information of the Compound
| Compound ID |
CP0459621
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| Compound Name |
4-((3-(2,3-dimethylphenyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid
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| Structure |
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| Formula |
C19H15NO3S2
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| Molecular Weight |
369.467
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| Canonical SMILES |
Cc1cccc(N2C(=S)S\C(=C/c3ccc(cc3)C(O)=O)C2=O)c1C
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| InChI |
InChI=1S/C19H15NO3S2/c1-11-4-3-5-15(12(11)2)20-17(21)16(25-19(20)24)10-13-6-8-14(9-7-13)18(22)23/h3-10H,1-2H3,(H,22,23)/b16-10-
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| InChIKey |
BRKYTJFUNROSCM-YBEGLDIGSA-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