General Information of the Compound
| Compound ID |
CP0393175
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)nicotinic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClN2O3
|
||||||||||||||||||
| Molecular Weight |
422.912
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cn1)C(O)=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClN2O3/c25-20-3-1-2-17(11-20)23(28)14-26-21-8-6-15-4-5-16(10-19(15)12-21)22-9-7-18(13-27-22)24(29)30/h1-5,7,9-11,13,21,23,26,28H,6,8,12,14H2,(H,29,30)/t21-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTUBINNOYURNEY-GMAHTHKFSA-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