General Information of the Compound
| Compound ID |
CP0415288
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| Compound Name |
2-(4-(4-chlorophenyl)-2-((4-chlorophenylsulfonyl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C18H13Cl2NO4S2
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| Molecular Weight |
442.345
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| Canonical SMILES |
OC(=O)Cc1sc(CS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H13Cl2NO4S2/c19-12-3-1-11(2-4-12)18-15(9-17(22)23)26-16(21-18)10-27(24,25)14-7-5-13(20)6-8-14/h1-8H,9-10H2,(H,22,23)
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| InChIKey |
JQJIHTZBNKHNKC-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