General Information of the Compound
| Compound ID |
CP0308845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Octyl-thiazol-2-yl)-2,3-dihydro-1H-indole-5-sulfonic acid {4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43N5O3S2
|
||||||||||||||||||
| Molecular Weight |
633.884
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43N5O3S2/c1-2-3-4-5-6-7-10-30-25-43-34(37-30)39-21-18-27-22-31(15-16-32(27)39)44(41,42)38-29-13-11-26(12-14-29)17-20-36-24-33(40)28-9-8-19-35-23-28/h8-9,11-16,19,22-23,25,33,36,38,40H,2-7,10,17-18,20-21,24H2,1H3/t33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPHNEZRFSKFAMO-XIFFEERXSA-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