General Information of the Compound
| Compound ID |
CP0251262
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| Compound Name |
(E)-3-[3-[[3-ethyl-5-[2-methoxyethyl(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 |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cccc(\C=C\C#N)c1
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| InChI |
InChI=1S/C22H27N3O2/c1-5-19-16(2)24-22(26)21(25(3)12-13-27-4)20(19)15-18-9-6-8-17(14-18)10-7-11-23/h6-10,14H,5,12-13,15H2,1-4H3,(H,24,26)/b10-7+
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| InChIKey |
GUSPHNVTAWXCCQ-JXMROGBWSA-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