General Information of the Compound
| Compound ID |
CP0956613
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| Compound Name |
N-(5-cyano-2-(4-(2,6-difluorophenoxy)piperidin-1-yl)phenyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-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 |
Cn1cccc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3c(F)cccc3F)CC2)c1=O
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| InChI |
InChI=1S/C25H22F2N4O3/c1-30-11-3-4-18(25(30)33)24(32)29-21-14-16(15-28)7-8-22(21)31-12-9-17(10-13-31)34-23-19(26)5-2-6-20(23)27/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,29,32)
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| InChIKey |
KTHQVVYVIFZDCB-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