General Information of the Compound
| Compound ID |
CP0470735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-3-[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]pyridin-2-yl]oxypropan-1-amine oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N5O4
|
||||||||||||||||||
| Molecular Weight |
477.565
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2cnc3ccc(cc3c2n(C2CCOCC2)c1=O)-c1ccc(OCCC[N+](C)(C)[O-])nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N5O4/c1-29-23-17-27-22-7-5-18(19-6-8-24(28-16-19)35-12-4-11-31(2,3)33)15-21(22)25(23)30(26(29)32)20-9-13-34-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWWRBCANJMVMFO-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