General Information of the Compound
| Compound ID |
CP0376758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-{2-[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-quinolin-5-yloxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid octylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H51N5O5
|
||||||||||||||||||
| Molecular Weight |
609.812
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCNC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H51N5O5/c1-2-3-4-5-6-7-19-36-34(43)39-21-17-27(18-22-39)37-26-10-8-25(9-11-26)16-20-35-23-28(40)24-44-31-14-13-30(41)33-29(31)12-15-32(42)38-33/h8-11,13-14,27-28,35,37,40-41H,2-7,12,15-24H2,1H3,(H,36,43)(H,38,42)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWGYJBGNFPFHHN-NDEPHWFRSA-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