General Information of the Compound
| Compound ID |
CP0448951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-[2-(1H-tetrazol-5-yl)-pyridin-4-yl]-pyrimidin-4-yl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21N9O5S
|
||||||||||||||||||
| Molecular Weight |
571.579
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(c1)-c1nnn[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21N9O5S/c1-4-13-39-26-22(40-20-8-6-5-7-19(20)38-3)25(33-41(36,37)21-10-9-16(2)15-28-21)29-23(30-26)17-11-12-27-18(14-17)24-31-34-35-32-24/h1,5-12,14-15H,13H2,2-3H3,(H,29,30,33)(H,31,32,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZOSZZWWOMARMH-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