General Information of the Compound
| Compound ID |
CP0493515
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((4-hydroxybenzylamino)methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
Oc1ccc(CNCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
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| InChI |
InChI=1S/C24H27NO4/c26-20-11-9-17(10-12-20)13-25-14-19-16-29-22-8-4-7-21(23(22)24(19)27)28-15-18-5-2-1-3-6-18/h4,7-12,16,18,25-26H,1-3,5-6,13-15H2
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| InChIKey |
IFSABQIGMDHQEE-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