General Information of the Compound
| Compound ID |
CP0922186
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| Compound Name |
(E)-N-(4-(5-(3,4-dihydroxyphenyl)-3-oxopent-4-en-1-yl)phenyl)-4-methoxybenzamide
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| Structure |
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| Formula |
C25H23NO5
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| Molecular Weight |
417.461
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| Canonical SMILES |
COc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1
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| InChI |
InChI=1S/C25H23NO5/c1-31-22-13-7-19(8-14-22)25(30)26-20-9-2-17(3-10-20)4-11-21(27)12-5-18-6-15-23(28)24(29)16-18/h2-3,5-10,12-16,28-29H,4,11H2,1H3,(H,26,30)/b12-5+
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| InChIKey |
MSMSYUOEUWXOCP-LFYBBSHMSA-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