General Information of the Compound
| Compound ID |
CP0372773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClN2O4
|
||||||||||||||||||
| Molecular Weight |
438.911
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1ccc(Cl)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClN2O4/c25-23-9-6-17(13-27-23)22(28)14-26-19-7-4-15-5-8-21(12-18(15)10-19)31-20-3-1-2-16(11-20)24(29)30/h1-3,5-6,8-9,11-13,19,22,26,28H,4,7,10,14H2,(H,29,30)/t19-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNUKAUHYDBVOLU-UGKGYDQZSA-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