General Information of the Compound
| Compound ID |
CP0535826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-[3-[3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoylamino]propyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H52N4O6
|
||||||||||||||||||
| Molecular Weight |
600.801
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H52N4O6/c1-24(2)36-20-28(38)22-42-30-12-7-5-10-26(30)14-16-32(40)34-18-9-19-35-33(41)17-15-27-11-6-8-13-31(27)43-23-29(39)21-37-25(3)4/h5-8,10-13,24-25,28-29,36-39H,9,14-23H2,1-4H3,(H,34,40)(H,35,41)/t28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFLWXFCBLMDJMC-VMPREFPWSA-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