General Information of the Compound
| Compound ID |
CP0940766
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| Compound Name |
3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyclohexa-1,4-dienyl)-acrylic acid ethyl ester
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| Structure |
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| Formula |
C19H19NO4
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| Molecular Weight |
325.364
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| Canonical SMILES |
CCOC(=O)/C=C/C1=C(C)C(=O)C(Cc2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C19H19NO4/c1-4-24-17(21)8-7-15-12(2)19(23)16(13(3)18(15)22)10-14-6-5-9-20-11-14/h5-9,11H,4,10H2,1-3H3/b8-7+
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| InChIKey |
JJVSDQLFLSLTPQ-BQYQJAHWSA-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