General Information of the Compound
| Compound ID |
CP0460856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(3-Bromophenyl)amino]-1-[3-(N,N-dimethylamino)-propyl]pyrrolo[3,2-g]quinazoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22BrN5
|
||||||||||||||||||
| Molecular Weight |
424.346
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22BrN5/c1-26(2)8-4-9-27-10-7-15-11-18-19(13-20(15)27)23-14-24-21(18)25-17-6-3-5-16(22)12-17/h3,5-7,10-14H,4,8-9H2,1-2H3,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSESIAIRSPHRBJ-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