General Information of the Compound
| Compound ID |
CP0768043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-tert-butyl-4-(3-(methylamino)azetidin-1-yl)quinazolin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H23N5
|
||||||||||||||||||
| Molecular Weight |
285.395
|
||||||||||||||||||
| Canonical SMILES |
CNC1CN(c2nc(N)nc3cc(C(C)(C)C)ccc23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23N5/c1-16(2,3)10-5-6-12-13(7-10)19-15(17)20-14(12)21-8-11(9-21)18-4/h5-7,11,18H,8-9H2,1-4H3,(H2,17,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXDXCASRBPOFLE-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor