General Information of the Compound
| Compound ID |
CP0540872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]methyl]-N-(2-hydroxyethyl)-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31NO5
|
||||||||||||||||||
| Molecular Weight |
449.547
|
||||||||||||||||||
| Canonical SMILES |
OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)C(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31NO5/c29-15-14-28(25(30)16-20-8-3-1-4-9-20)17-22-19-33-24-13-7-12-23(26(24)27(22)31)32-18-21-10-5-2-6-11-21/h1,3-4,7-9,12-13,19,21,29H,2,5-6,10-11,14-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCYFTMBFZKUETC-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