General Information of the Compound
| Compound ID |
CP0454815
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-Butyl-N-[6-(2-ethanesulfonylamino-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N6O7S2
|
||||||||||||||||||
| Molecular Weight |
642.76
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N6O7S2/c1-6-43(36,37)32-18-19-41-28-24(42-23-11-8-7-10-22(23)40-5)25(33-27(34-28)26-30-16-9-17-31-26)35-44(38,39)21-14-12-20(13-15-21)29(2,3)4/h7-17,32H,6,18-19H2,1-5H3,(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXZLHWXGEORAOB-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: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor