General Information of the Compound
| Compound ID |
CP0429158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-octylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O2S
|
||||||||||||||||||
| Molecular Weight |
464.635
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O2S/c1-2-3-4-5-6-8-11-22-16-18-27-26(28-22)30-19-17-21-20-24(14-15-25(21)30)33(31,32)29-23-12-9-7-10-13-23/h7,9-10,12-16,18,20,29H,2-6,8,11,17,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQMUWTUKVXWONB-UHFFFAOYSA-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