General Information of the Compound
| Compound ID |
CP0453163
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| Compound Name |
4-((4-oxo-2-thioxo-3-m-tolylthiazolidin-5-ylidene)methyl)benzoic acid
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| Structure |
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| Formula |
C18H13NO3S2
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| Molecular Weight |
355.44
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| Canonical SMILES |
Cc1cccc(c1)N1C(=S)S\C(=C/c2ccc(cc2)C(O)=O)C1=O
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| InChI |
InChI=1S/C18H13NO3S2/c1-11-3-2-4-14(9-11)19-16(20)15(24-18(19)23)10-12-5-7-13(8-6-12)17(21)22/h2-10H,1H3,(H,21,22)/b15-10-
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| InChIKey |
OLZKVXPTDFNASH-GDNBJRDFSA-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