General Information of the Compound
| Compound ID |
CP0445254
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(1R)-2-[2-[(3-ethoxy-1H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N4O5S
|
||||||||||||||||||
| Molecular Weight |
434.518
|
||||||||||||||||||
| Canonical SMILES |
CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N4O5S/c1-3-28-20-17-8-7-16(12-18(17)22-23-20)29-10-9-21-13-19(25)14-5-4-6-15(11-14)24-30(2,26)27/h4-8,11-12,19,21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRRFSTWOWOUELL-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor