General Information of the Compound
| Compound ID |
CP0404274
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| Compound Name |
(2R,4R)-2-(2-chlorophenyl)-3-[4-(2-methylpyrazol-3-yl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C21H18ClN3O3S
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| Molecular Weight |
427.913
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| Canonical SMILES |
Cn1nccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O
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| InChI |
InChI=1S/C21H18ClN3O3S/c1-24-17(10-11-23-24)13-6-8-14(9-7-13)19(26)25-18(21(27)28)12-29-20(25)15-4-2-3-5-16(15)22/h2-11,18,20H,12H2,1H3,(H,27,28)/t18-,20+/m0/s1
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| InChIKey |
RMUIESAKLYZBFA-AZUAARDMSA-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