General Information of the Compound
| Compound ID |
CP0477785
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| Compound Name |
(2R,4R)-2-(2-chlorophenyl)-3-[4-(2-phenylethynyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
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| Structure |
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| Formula |
C25H18ClNO3S
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| Molecular Weight |
447.943
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| Canonical SMILES |
OC(=O)[C@@H]1CS[C@@H](N1C(=O)c1ccc(cc1)C#Cc1ccccc1)c1ccccc1Cl
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| InChI |
InChI=1S/C25H18ClNO3S/c26-21-9-5-4-8-20(21)24-27(22(16-31-24)25(29)30)23(28)19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-9,12-15,22,24H,16H2,(H,29,30)/t22-,24+/m0/s1
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| InChIKey |
HFMMBBOELQDPBN-LADGPHEKSA-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