General Information of the Compound
| Compound ID |
CP0396436
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| Compound Name |
(2R,4R)-3-[4-(2-methoxyphenyl)benzoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C24H21NO4S
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| Molecular Weight |
419.502
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| Canonical SMILES |
COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C24H21NO4S/c1-29-21-10-6-5-9-19(21)16-11-13-17(14-12-16)22(26)25-20(24(27)28)15-30-23(25)18-7-3-2-4-8-18/h2-14,20,23H,15H2,1H3,(H,27,28)/t20-,23+/m0/s1
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| InChIKey |
PQHYNNTWXALAOX-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