General Information of the Compound
| Compound ID |
CP0568114
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| Compound Name |
(4S)-N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
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| Structure |
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| Formula |
C20H18BrFN2O4
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| Molecular Weight |
449.276
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| Canonical SMILES |
COc1cc(Br)c(NC(=O)C2=CNC(=O)C[C@H]2c2cccc(F)c2)cc1OC
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| InChI |
InChI=1S/C20H18BrFN2O4/c1-27-17-8-15(21)16(9-18(17)28-2)24-20(26)14-10-23-19(25)7-13(14)11-4-3-5-12(22)6-11/h3-6,8-10,13H,7H2,1-2H3,(H,23,25)(H,24,26)/t13-/m0/s1
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| InChIKey |
IIOWXVRMSLPBEY-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