General Information of the Compound
| Compound ID |
CP0561273
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-fluoro-4-(oxan-4-ylamino)-6-pyridin-3-ylquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN4O2
|
||||||||||||||||||
| Molecular Weight |
366.396
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cnc2cc(F)c(cc2c1NC1CCOCC1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN4O2/c21-17-9-18-15(8-14(17)12-2-1-5-23-10-12)19(16(11-24-18)20(22)26)25-13-3-6-27-7-4-13/h1-2,5,8-11,13H,3-4,6-7H2,(H2,22,26)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSDIRQKLGUFBIG-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: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR