General Information of the Compound
| Compound ID |
CP0404367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid 4-fluoro-benzylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37FN4O4
|
||||||||||||||||||
| Molecular Weight |
536.648
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCc2ccc(F)cc2)cc1)COc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37FN4O4/c31-24-5-1-23(2-6-24)19-33-30(38)35-17-14-26(15-18-35)34-25-7-3-22(4-8-25)13-16-32-20-28(37)21-39-29-11-9-27(36)10-12-29/h1-12,26,28,32,34,36-37H,13-21H2,(H,33,38)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJSSHXVIZGRZSS-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