General Information of the Compound
| Compound ID |
CP0371758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-(4-(2-(2-hydroxy-3-(2-oxoindolin-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O5
|
||||||||||||||||||
| Molecular Weight |
490.56
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)Cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O5/c1-27(2,30-15-19(32)16-35-23-5-3-4-22-21(23)12-24(33)31-22)13-17-6-9-20(10-7-17)36-25-11-8-18(14-29-25)26(28)34/h3-11,14,19,30,32H,12-13,15-16H2,1-2H3,(H2,28,34)(H,31,33)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWRDQWRLAILBSL-IBGZPJMESA-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