General Information of the Compound
| Compound ID |
CP0251263
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| Compound Name |
(E)-3-[3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]phenyl]prop-2-enenitrile
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
CCN(C)c1c(Cc2cccc(\C=C\C#N)c2)c(CC)c(C)[nH]c1=O
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| InChI |
InChI=1S/C21H25N3O/c1-5-18-15(3)23-21(25)20(24(4)6-2)19(18)14-17-10-7-9-16(13-17)11-8-12-22/h7-11,13H,5-6,14H2,1-4H3,(H,23,25)/b11-8+
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| InChIKey |
UOZDWSRONYZLQO-DHZHZOJOSA-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