General Information of the Compound
| Compound ID |
CP0415568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10214536, Compound 78
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N2O6
|
||||||||||||||||||
| Molecular Weight |
394.383
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC2(CC1)OCCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-3,9-10H,4-8H2,(H2,22,23)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSKHCVGUWCGWIV-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