General Information of the Compound
| Compound ID |
CP0172026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614253, 26-14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13NO3
|
||||||||||||||||||
| Molecular Weight |
279.295
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(C=O)c1O)-c1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13NO3/c1-21-16-7-12(6-13(10-19)17(16)20)15-9-18-8-11-4-2-3-5-14(11)15/h2-10,20H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGQHRGRABLFQGB-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