General Information of the Compound
| Compound ID |
CP0373723
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O3
|
||||||||||||||||||
| Molecular Weight |
458.562
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)CN2CC(CC2=O)c2ccccc2)cc1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTSLMYXQERUVCS-YNMFNDETSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor