General Information of the Compound
| Compound ID |
CP0530111
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-phenyl}-ethanone O-methyl-oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22BrN5O2
|
||||||||||||||||||
| Molecular Weight |
456.344
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(\C)=N/OC)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22BrN5O2/c1-4-29-19-10-7-15(22)11-17(19)18-12-20(26-21(23)25-18)24-16-8-5-14(6-9-16)13(2)27-28-3/h5-12H,4H2,1-3H3,(H3,23,24,25,26)/b27-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKMIZOFFWGWSNY-WKIKZPBSSA-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