General Information of the Compound
| Compound ID |
CP0514976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9296728, 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H16N2O3
|
||||||||||||||||||
| Molecular Weight |
272.304
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1\C=C(/C#N)C(O)=O)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N2O3/c1-20-14-9-13(17-6-2-3-7-17)5-4-11(14)8-12(10-16)15(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)/b12-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIYZMSFJSKOOBF-XYOKQWHBSA-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