General Information of the Compound
| Compound ID |
CP0371871
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| Compound Name |
2-(4-(4-chlorophenyl)-2-(1-phenylpropyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C20H18ClNO2S
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| Molecular Weight |
371.889
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| Canonical SMILES |
CCC(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C20H18ClNO2S/c1-2-16(13-6-4-3-5-7-13)20-22-19(17(25-20)12-18(23)24)14-8-10-15(21)11-9-14/h3-11,16H,2,12H2,1H3,(H,23,24)
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| InChIKey |
HDVJQXALBFFODC-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