General Information of the Compound
| Compound ID |
CP0396435
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| Compound Name |
(2R,4R)-2-(2-bromophenyl)-3-[4-(2-methoxyphenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C24H20BrNO4S
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| Molecular Weight |
498.398
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| Canonical SMILES |
COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Br)C(O)=O
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| InChI |
InChI=1S/C24H20BrNO4S/c1-30-21-9-5-3-6-17(21)15-10-12-16(13-11-15)22(27)26-20(24(28)29)14-31-23(26)18-7-2-4-8-19(18)25/h2-13,20,23H,14H2,1H3,(H,28,29)/t20-,23+/m0/s1
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| InChIKey |
XTDKRUNTENKKCR-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