General Information of the Compound
| Compound ID |
CP0882008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Cyclopentyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}-ethyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
559.128
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N2O5S.ClH/c1-37(34,35)31-29(33)26-16-15-24(19-28(26)36-25-9-5-6-10-25)22-13-11-21(12-14-22)17-18-30-20-27(32)23-7-3-2-4-8-23;/h2-4,7-8,11-16,19,25,27,30,32H,5-6,9-10,17-18,20H2,1H3,(H,31,33);1H/t27-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRNLDGBRAHXXMT-YCBFMBTMSA-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