General Information of the Compound
| Compound ID |
CP0404277
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| Compound Name |
(2R,4R)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoyl]-2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C21H19N3O4S
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| Molecular Weight |
409.467
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccn1)C(O)=O
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| InChI |
InChI=1S/C21H19N3O4S/c1-12-18(13(2)28-23-12)14-6-8-15(9-7-14)19(25)24-17(21(26)27)11-29-20(24)16-5-3-4-10-22-16/h3-10,17,20H,11H2,1-2H3,(H,26,27)/t17-,20+/m0/s1
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| InChIKey |
CUNVCGUZBWQQEN-FXAWDEMLSA-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