General Information of the Compound
| Compound ID |
CP0849868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(R)-5-(2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethoxy)-2-hydroxy-phenyl]-methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N4O7S2
|
||||||||||||||||||
| Molecular Weight |
550.659
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N4O7S2/c1-37(33,34)27-19-13-18(6-7-20(19)29)35-22(30)14-25-16-8-10-28(11-9-16)17-4-2-15(3-5-17)12-21-23(31)26-24(32)36-21/h2-7,13,16,21-22,25,27,29-30H,8-12,14H2,1H3,(H,26,31,32)/t21?,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQSZAGYICKRCBC-FOIFJWKZSA-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: PT01493, Beta-3 adrenergic receptor