General Information of the Compound
| Compound ID |
CP0404276
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| Compound Name |
(2R,4R)-2-(2-chlorophenyl)-3-[4-(4-cyanophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C24H17ClN2O3S
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| Molecular Weight |
448.931
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| Canonical SMILES |
OC(=O)[C@@H]1CS[C@@H](N1C(=O)c1ccc(cc1)-c1ccc(cc1)C#N)c1ccccc1Cl
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| InChI |
InChI=1S/C24H17ClN2O3S/c25-20-4-2-1-3-19(20)23-27(21(14-31-23)24(29)30)22(28)18-11-9-17(10-12-18)16-7-5-15(13-26)6-8-16/h1-12,21,23H,14H2,(H,29,30)/t21-,23+/m0/s1
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| InChIKey |
GDZCDOSANCCHEG-JTHBVZDNSA-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