General Information of the Compound
| Compound ID |
CP0500630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(Cyclohexylmethoxy)-3-((2-hydroxyethylamino)-methyl)-4H-chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25NO4
|
||||||||||||||||||
| Molecular Weight |
331.412
|
||||||||||||||||||
| Canonical SMILES |
OCCNCc1coc2cccc(OCC3CCCCC3)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25NO4/c21-10-9-20-11-15-13-24-17-8-4-7-16(18(17)19(15)22)23-12-14-5-2-1-3-6-14/h4,7-8,13-14,20-21H,1-3,5-6,9-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKUWBPVEVPERCF-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