General Information of the Compound
| Compound ID |
CP0552988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[(4-chloro-2-methoxyphenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylquinazoline-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Formula |
C22H23ClN6O
|
||||||||||||||||||
| Molecular Weight |
422.92
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(C)c23)n[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN6O/c1-4-16-11-19(29-28-16)26-21-20-13(2)6-5-7-17(20)25-22(27-21)24-12-14-8-9-15(23)10-18(14)30-3/h5-11H,4,12H2,1-3H3,(H3,24,25,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LURYOAGETDDIFD-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 | |||||||||||||||||||
| 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