General Information of the Compound
| Compound ID |
CP0953842
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| Compound Name |
(R)-N-(5-cyano-2-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)phenyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C26H23F3N4O2
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| Molecular Weight |
480.49
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| Canonical SMILES |
Cn1cccc(C(=O)Nc2cc(C#N)ccc2N2CCC([C@@H](F)c3ccc(F)cc3F)CC2)c1=O
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| InChI |
InChI=1S/C26H23F3N4O2/c1-32-10-2-3-20(26(32)35)25(34)31-22-13-16(15-30)4-7-23(22)33-11-8-17(9-12-33)24(29)19-6-5-18(27)14-21(19)28/h2-7,10,13-14,17,24H,8-9,11-12H2,1H3,(H,31,34)/t24-/m1/s1
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| InChIKey |
PHTSHQMHHUAHJP-XMMPIXPASA-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