General Information of the Compound
| Compound ID |
CP0541346
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| Compound Name |
(2R,4R)-2-(2-chlorophenyl)-3-[4-(2-fluoro-3-methoxyphenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C24H19ClFNO4S
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| Molecular Weight |
471.937
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| Canonical SMILES |
COc1cccc(c1F)-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C24H19ClFNO4S/c1-31-20-8-4-6-16(21(20)26)14-9-11-15(12-10-14)22(28)27-19(24(29)30)13-32-23(27)17-5-2-3-7-18(17)25/h2-12,19,23H,13H2,1H3,(H,29,30)/t19-,23+/m0/s1
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| InChIKey |
ODTDKPLFWZOPRW-WMZHIEFXSA-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