General Information of the Compound
| Compound ID |
CP0541127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[2-[2-[2-[2-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H48N2O8
|
||||||||||||||||||
| Molecular Weight |
564.72
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[C@@H](O)CNC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H48N2O8/c1-23(2)31-19-25(33)21-39-29-11-7-5-9-27(29)37-17-15-35-13-14-36-16-18-38-28-10-6-8-12-30(28)40-22-26(34)20-32-24(3)4/h5-12,23-26,31-34H,13-22H2,1-4H3/t25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UDJAUEAQNLTAJO-UIOOFZCWSA-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