General Information of the Compound
| Compound ID |
CP0456747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)-2-methoxybenzoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClNO4
|
||||||||||||||||||
| Molecular Weight |
451.95
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1C(O)=O)-c1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClNO4/c1-32-25-14-19(7-11-23(25)26(30)31)18-3-2-16-6-10-22(13-20(16)12-18)28-15-24(29)17-4-8-21(27)9-5-17/h2-5,7-9,11-12,14,22,24,28-29H,6,10,13,15H2,1H3,(H,30,31)/t22-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGGCGHBFJHUWOQ-UPVQGACJSA-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