General Information of the Compound
| Compound ID |
CP0495411
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| Compound Name |
4-((5,5-dimethyl-2,4-dioxo-3-(4-(trifluoromethylthio)phenyl)imidazolidin-1-yl)methyl)picolinic acid
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| Structure |
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| Formula |
C19H16F3N3O4S
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| Molecular Weight |
439.415
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| Canonical SMILES |
CC1(C)N(Cc2ccnc(c2)C(O)=O)C(=O)N(C1=O)c1ccc(SC(F)(F)F)cc1
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| InChI |
InChI=1S/C19H16F3N3O4S/c1-18(2)16(28)25(12-3-5-13(6-4-12)30-19(20,21)22)17(29)24(18)10-11-7-8-23-14(9-11)15(26)27/h3-9H,10H2,1-2H3,(H,26,27)
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| InChIKey |
BOSZLLANMZYROO-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