General Information of the Compound
| Compound ID |
CP0408402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-methoxy-4-oxo-4H-chromene-2-carboxylic acid [2-(1-benzo-[1,3]dioxol-5-ylmethylpyrrolidin-2-yl)ethyl]amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O6
|
||||||||||||||||||
| Molecular Weight |
450.491
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(c1)oc(cc2=O)C(=O)NCCC1CCCN1Cc1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O6/c1-30-18-5-6-19-20(28)13-24(33-22(19)12-18)25(29)26-9-8-17-3-2-10-27(17)14-16-4-7-21-23(11-16)32-15-31-21/h4-7,11-13,17H,2-3,8-10,14-15H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTRQPJOPPZBLHL-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