General Information of the Compound
| Compound ID |
CP0491198
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| Compound Name |
2-(4-(4-chlorophenyl)-2-(phenyl(pyridin-2-yl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C23H17ClN2O2S
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| Molecular Weight |
420.921
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C(c1ccccc1)c1ccccn1
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| InChI |
InChI=1S/C23H17ClN2O2S/c24-17-11-9-16(10-12-17)22-19(14-20(27)28)29-23(26-22)21(15-6-2-1-3-7-15)18-8-4-5-13-25-18/h1-13,21H,14H2,(H,27,28)
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| InChIKey |
FTDOLMWQXVZKCL-UHFFFAOYSA-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