General Information of the Compound
| Compound ID |
CP0387364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10214536, Compound 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N2O4
|
||||||||||||||||||
| Molecular Weight |
324.336
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-1-2-4-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFNUUMBKQALSBU-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: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Protein ID: PT01682, Serine/threonine-protein kinase TBK1