General Information of the Compound
| Compound ID |
CP0579364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-amino-3-methylsulfonyl-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H22ClF3N2O3S
|
||||||||||||||||||
| Molecular Weight |
390.855
|
||||||||||||||||||
| Canonical SMILES |
Cl.CC(C)(C)NC(CO)c1cc(c(N)c(c1)S(C)(=O)=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H21F3N2O3S.ClH/c1-13(2,3)19-10(7-20)8-5-9(14(15,16)17)12(18)11(6-8)23(4,21)22;/h5-6,10,19-20H,7,18H2,1-4H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOBTXWJXGIBUCK-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