General Information of the Compound
| Compound ID |
CP0404273
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| Compound Name |
(2R,4R)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoyl]-2-(2-ethynylphenyl)-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C24H20N2O4S
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| Molecular Weight |
432.501
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1C#C)C(O)=O
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| InChI |
InChI=1S/C24H20N2O4S/c1-4-16-7-5-6-8-19(16)23-26(20(13-31-23)24(28)29)22(27)18-11-9-17(10-12-18)21-14(2)25-30-15(21)3/h1,5-12,20,23H,13H2,2-3H3,(H,28,29)/t20-,23+/m0/s1
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| InChIKey |
IJTQWNUIMZGHMZ-NZQKXSOJSA-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