General Information of the Compound
| Compound ID |
CP0087202
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| Compound Name |
(4S)-N-[4-fluoro-2-methyl-5-(2-methyl-3-oxopyridazin-4-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
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| Structure |
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| Formula |
C25H22F2N4O3
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| Molecular Weight |
464.472
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| Canonical SMILES |
CN1C=C([C@@H](CC1=O)c1ccc(F)cc1)C(=O)Nc1cc(c(F)cc1C)-c1ccnn(C)c1=O
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| InChI |
InChI=1S/C25H22F2N4O3/c1-14-10-21(27)19(17-8-9-28-31(3)25(17)34)11-22(14)29-24(33)20-13-30(2)23(32)12-18(20)15-4-6-16(26)7-5-15/h4-11,13,18H,12H2,1-3H3,(H,29,33)/t18-/m0/s1
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| InChIKey |
GKXJURJNRHYYSL-SFHVURJKSA-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