General Information of the Compound
| Compound ID |
CP0963447
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| Compound Name |
N-(5-cyano-2-(4-(2-fluoro-4-methoxybenzyl)piperidin-1-yl)phenyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C27H27FN4O3
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| Molecular Weight |
474.536
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| Canonical SMILES |
COc1ccc(CC2CCN(c3ccc(C#N)cc3NC(=O)c3cccn(C)c3=O)CC2)c(F)c1
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| InChI |
InChI=1S/C27H27FN4O3/c1-31-11-3-4-22(27(31)34)26(33)30-24-15-19(17-29)5-8-25(24)32-12-9-18(10-13-32)14-20-6-7-21(35-2)16-23(20)28/h3-8,11,15-16,18H,9-10,12-14H2,1-2H3,(H,30,33)
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| InChIKey |
FWTCEKKTSFCBSH-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