General Information of the Compound
| Compound ID |
CP0446302
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| Compound Name |
(2R,4R)-2-(2-chlorophenyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]benzoyl]-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C26H20ClNO4S
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| Molecular Weight |
477.969
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| Canonical SMILES |
COc1ccccc1C#Cc1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C26H20ClNO4S/c1-32-23-9-5-2-6-18(23)13-10-17-11-14-19(15-12-17)24(29)28-22(26(30)31)16-33-25(28)20-7-3-4-8-21(20)27/h2-9,11-12,14-15,22,25H,16H2,1H3,(H,30,31)/t22-,25+/m0/s1
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| InChIKey |
UQIUYRFRTDOYJE-WIOPSUGQSA-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