General Information of the Compound
| Compound ID |
CP0453387
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(cyclohexylmethoxy)-3-[[2-hydroxyethyl-[(4-methylphenyl)methyl]amino]methyl]chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33NO4
|
||||||||||||||||||
| Molecular Weight |
435.564
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33NO4/c1-20-10-12-21(13-11-20)16-28(14-15-29)17-23-19-32-25-9-5-8-24(26(25)27(23)30)31-18-22-6-3-2-4-7-22/h5,8-13,19,22,29H,2-4,6-7,14-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGRLIJVNZSOVAK-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