General Information of the Compound
| Compound ID |
CP0485039
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| Compound Name |
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]-5-methylpyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C29H24F4N2O5S
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| Molecular Weight |
588.579
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| Canonical SMILES |
Cc1ccc(-c2cc(ccc2OCc2ccc(F)cc2)C(F)(F)F)n1-c1cc(cc(c1)C(O)=O)N1CCCS1(=O)=O
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| InChI |
InChI=1S/C29H24F4N2O5S/c1-18-3-9-26(35(18)24-14-20(28(36)37)13-23(16-24)34-11-2-12-41(34,38)39)25-15-21(29(31,32)33)6-10-27(25)40-17-19-4-7-22(30)8-5-19/h3-10,13-16H,2,11-12,17H2,1H3,(H,36,37)
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| InChIKey |
WZKIBHFVPDREPU-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