General Information of the Compound
| Compound ID |
CP0424729
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| Compound Name |
7-methoxy-4-oxo-4H-chromene-2-carboxylic acid (4-{[(Benzo-[1,3]dioxol-5-ylmethyl)amino]methyl}cyclohexyl)amide
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| Structure |
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| Formula |
C25H26N2O6
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| Molecular Weight |
450.491
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| Canonical SMILES |
COc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCC(CNc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C25H26N2O6/c1-30-18-7-8-19-20(28)12-24(33-22(19)11-18)25(29)27-16-4-2-15(3-5-16)13-26-17-6-9-21-23(10-17)32-14-31-21/h6-12,15-16,26H,2-5,13-14H2,1H3,(H,27,29)
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| InChIKey |
IGOFGLNRGQBPLO-UHFFFAOYSA-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