General Information of the Compound
| Compound ID |
CP0093810
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(1R)-2-[[(1R,2R)-2-cyclohexylcyclopentyl]amino]-1-hydroxyethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H28N2O3S
|
||||||||||||||||||
| Molecular Weight |
376.522
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28N2O3S/c23-16-10-9-14(19-18(16)22-20(25)26-19)17(24)11-21-15-8-4-7-13(15)12-5-2-1-3-6-12/h9-10,12-13,15,17,21,23-24H,1-8,11H2,(H,22,25)/t13-,15-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYNOMSZTPOUFRQ-UNEWFSDZSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT00943, D(3) dopamine receptor