General Information of the Compound
| Compound ID |
CP0404589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-morpholin-4-yl-6-[2-(toluene-4-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38N6O8S2
|
||||||||||||||||||
| Molecular Weight |
698.824
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCNS(=O)(=O)c1ccc(C)cc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N6O8S2/c1-22(2)24-11-14-28(33-21-24)48(41,42)37-30-29(46-27-8-6-5-7-26(27)43-4)31(36-32(35-30)38-16-19-44-20-17-38)45-18-15-34-47(39,40)25-12-9-23(3)10-13-25/h5-14,21-22,34H,15-20H2,1-4H3,(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCRCGPMIFXVQLZ-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