General Information of the Compound
| Compound ID |
CP0252910
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| Compound Name |
(E)-3-(2,4-Dimethoxybenzylidene)chroman-4-one
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| Structure |
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| Formula |
C18H16O4
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| Molecular Weight |
296.322
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| Canonical SMILES |
COc1ccc(\C=C2/COc3ccccc3C2=O)c(OC)c1
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| InChI |
InChI=1S/C18H16O4/c1-20-14-8-7-12(17(10-14)21-2)9-13-11-22-16-6-4-3-5-15(16)18(13)19/h3-10H,11H2,1-2H3/b13-9+
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| InChIKey |
LDQBEGGHXWUXBN-UKTHLTGXSA-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
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic