General Information of the Compound
| Compound ID |
CP0044683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{(S)-2-Hydroxy-3-[1-(4-methoxy-benzenesulfonyl)-piperidin-4-ylamino]-propoxy}-phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N2O6S
|
||||||||||||||||||
| Molecular Weight |
436.53
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N2O6S/c1-28-19-6-8-21(9-7-19)30(26,27)23-12-10-16(11-13-23)22-14-18(25)15-29-20-4-2-17(24)3-5-20/h2-9,16,18,22,24-25H,10-15H2,1H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FAGYXUDVGKSFIX-SFHVURJKSA-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: PT01493, Beta-3 adrenergic receptor