General Information of the Compound
| Compound ID |
CP0448952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(3-Bromophenyl)amino]-1-[2-(4-morpholino)ethyl]-pyrrolo[3,2-g]quinazoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22BrN5O
|
||||||||||||||||||
| Molecular Weight |
452.356
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4n(CCN5CCOCC5)ccc4cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZOXQULADAMXOQ-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