General Information of the Compound
| Compound ID |
CP0116191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(dimethylamino)ethyl (E)-3-[3-[(3,4-dimethylphenyl)carbamoyl]-4-oxochromen-6-yl]prop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O5
|
||||||||||||||||||
| Molecular Weight |
434.492
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(C)c(C)c3)c(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O5/c1-16-5-8-19(13-17(16)2)26-25(30)21-15-32-22-9-6-18(14-20(22)24(21)29)7-10-23(28)31-12-11-27(3)4/h5-10,13-15H,11-12H2,1-4H3,(H,26,30)/b10-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFUJGMUUZMRBHG-JXMROGBWSA-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