General Information of the Compound
| Compound ID |
CP0431541
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| Compound Name |
1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8-trifluoro-N-(4-fluorobenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
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| Structure |
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| Formula |
C24H9F8N3O2
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| Molecular Weight |
523.339
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2cn(-c3c(F)c(F)c(C#N)c(F)c3F)c3c(F)c(F)c(F)cc3c2=O)cc1
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| InChI |
InChI=1S/C24H9F8N3O2/c25-10-3-1-9(2-4-10)7-34-24(37)13-8-35(21-11(23(13)36)5-14(26)17(29)20(21)32)22-18(30)15(27)12(6-33)16(28)19(22)31/h1-5,8H,7H2,(H,34,37)
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| InChIKey |
XPYZEKFFOCHGLU-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