General Information of the Compound
| Compound ID |
CP0233022
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4,9-diketo-2-methyl-benzo[f]benzofuran-3-carbonyl)isonipecotic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21NO6
|
||||||||||||||||||
| Molecular Weight |
395.411
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1CCN(CC1)C(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21NO6/c1-3-28-22(27)13-8-10-23(11-9-13)21(26)16-12(2)29-20-17(16)18(24)14-6-4-5-7-15(14)19(20)25/h4-7,13H,3,8-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCQRDSJRASINSW-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3