General Information of the Compound
| Compound ID |
CP0372013
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| Compound Name |
2-(4-(4-chlorophenyl)-2-((4-methoxyphenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C25H20ClNO3S
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| Molecular Weight |
449.959
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| Canonical SMILES |
COc1ccc(cc1)C(c1nc(c(CC(O)=O)s1)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H20ClNO3S/c1-30-20-13-9-17(10-14-20)23(16-5-3-2-4-6-16)25-27-24(21(31-25)15-22(28)29)18-7-11-19(26)12-8-18/h2-14,23H,15H2,1H3,(H,28,29)
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| InChIKey |
VOTMNFLWKCFMIN-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