General Information of the Compound
| Compound ID |
CP0578760
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H17BrClF3N2O
|
||||||||||||||||||
| Molecular Weight |
377.632
|
||||||||||||||||||
| Canonical SMILES |
Cl.CC(C)NC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H16BrF3N2O.ClH/c1-6(2)18-10(5-19)7-3-8(12(14,15)16)11(17)9(13)4-7;/h3-4,6,10,18-19H,5,17H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYKIGWKRLFONMH-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 | |||||||||||||||||||
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