General Information of the Compound
| Compound ID |
CP0969574
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C27H26F2N4O3
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| Molecular Weight |
492.526
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| Canonical SMILES |
Cc1cc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)c(=O)n(C)c1C
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| InChI |
InChI=1S/C27H26F2N4O3/c1-16-12-21(27(35)32(3)17(16)2)26(34)31-23-13-18(15-30)4-6-24(23)33-10-8-20(9-11-33)36-25-7-5-19(28)14-22(25)29/h4-7,12-14,20H,8-11H2,1-3H3,(H,31,34)
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| InChIKey |
JNKURFBMRFPJJU-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