General Information of the Compound
| Compound ID |
CP0930270
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| Compound Name |
(S)-4-((5-methyl-2,4-dioxo-3-(4-(trifluoromethylsulfonyl)phenyl)imidazolidin-1-yl)methyl)quinoline 1-oxide
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| Structure |
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| Formula |
C21H16F3N3O5S
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| Molecular Weight |
479.436
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| Canonical SMILES |
C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1cc[n+]([O-])c2ccccc12
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| InChI |
InChI=1S/C21H16F3N3O5S/c1-13-19(28)27(15-6-8-16(9-7-15)33(31,32)21(22,23)24)20(29)25(13)12-14-10-11-26(30)18-5-3-2-4-17(14)18/h2-11,13H,12H2,1H3/t13-/m0/s1
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| InChIKey |
PYDVYNLKEZWMLL-ZDUSSCGKSA-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