General Information of the Compound
| Compound ID |
CP0408922
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| Compound Name |
(2R,4R)-3-[4-(4-acetylphenyl)benzoyl]-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C25H20ClNO4S
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| Molecular Weight |
465.958
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| Canonical SMILES |
CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C25H20ClNO4S/c1-15(28)16-6-8-17(9-7-16)18-10-12-19(13-11-18)23(29)27-22(25(30)31)14-32-24(27)20-4-2-3-5-21(20)26/h2-13,22,24H,14H2,1H3,(H,30,31)/t22-,24+/m0/s1
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| InChIKey |
FDHYUWQCXYFHFQ-LADGPHEKSA-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