General Information of the Compound
| Compound ID |
CP0532994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-chloro-6-methoxypyridin-3-yl)-3-[6-cyano-4-[(3S)-3-methylmorpholin-4-yl]quinolin-3-yl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21ClN6O3
|
||||||||||||||||||
| Molecular Weight |
452.902
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(NC(=O)Nc2cnc3ccc(cc3c2N2CCOC[C@@H]2C)C#N)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClN6O3/c1-13-12-32-6-5-29(13)20-16-7-14(9-24)3-4-18(16)25-11-19(20)28-22(30)27-15-8-17(23)21(31-2)26-10-15/h3-4,7-8,10-11,13H,5-6,12H2,1-2H3,(H2,27,28,30)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVTPIBKKYCMLDF-ZDUSSCGKSA-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 | |||||||||||||||||||
| 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