General Information of the Compound
| Compound ID |
CP0424935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[1-[[4-bromo-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4-N,4-N-dimethylquinazoline-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25BrF3N5O
|
||||||||||||||||||
| Molecular Weight |
524.385
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25BrF3N5O/c1-31(2)21-18-5-3-4-6-19(18)29-22(30-21)28-17-9-11-32(12-10-17)14-15-7-8-16(24)13-20(15)33-23(25,26)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFRCQBGVCKTCAM-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01795, Neuropeptide Y receptor type 5