General Information of the Compound
| Compound ID |
CP0571821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-amino-3-(benzenesulfonyl)-5-fluorophenyl]-2-(tert-butylamino)ethanol;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24ClFN2O3S
|
||||||||||||||||||
| Molecular Weight |
402.919
|
||||||||||||||||||
| Canonical SMILES |
Cl.CC(C)(C)NC(CO)c1cc(F)c(N)c(c1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23FN2O3S.ClH/c1-18(2,3)21-15(11-22)12-9-14(19)17(20)16(10-12)25(23,24)13-7-5-4-6-8-13;/h4-10,15,21-22H,11,20H2,1-3H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNRIAVUSNJZNGX-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