General Information of the Compound
| Compound ID |
CP0401888
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(Cyclohexylmethoxy)-3-((4-hydroxyphenylamino)-methyl)-4H-chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25NO4
|
||||||||||||||||||
| Molecular Weight |
379.456
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(NCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25NO4/c25-19-11-9-18(10-12-19)24-13-17-15-28-21-8-4-7-20(22(21)23(17)26)27-14-16-5-2-1-3-6-16/h4,7-12,15-16,24-25H,1-3,5-6,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAGLRORBIRZKSI-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound