General Information of the Compound
| Compound ID |
CP0416755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-(4-bromoanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22BrN5O
|
||||||||||||||||||
| Molecular Weight |
428.334
|
||||||||||||||||||
| Canonical SMILES |
OCCN1CCN(CC1)c1nc(Nc2ccc(Br)cc2)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22BrN5O/c21-15-5-7-16(8-6-15)22-19-17-3-1-2-4-18(17)23-20(24-19)26-11-9-25(10-12-26)13-14-27/h1-8,27H,9-14H2,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVURRBVVEFEGAB-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00943, D(3) dopamine receptor