General Information of the Compound
| Compound ID |
CP0536378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(2S)-3-[[(1R)-1-(3,4-dichlorophenyl)-2-phenylethyl]amino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26Cl2N2O4S
|
||||||||||||||||||
| Molecular Weight |
509.455
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26Cl2N2O4S/c1-33(31,32)28-23-13-17(7-10-24(23)30)11-19(29)15-27-22(12-16-5-3-2-4-6-16)18-8-9-20(25)21(26)14-18/h2-10,13-14,19,22,27-30H,11-12,15H2,1H3/t19-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUXRICMJEWSVFK-SIKLNZKXSA-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