General Information of the Compound
| Compound ID |
CP0550151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]sulfonylamino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N3O6S
|
||||||||||||||||||
| Molecular Weight |
437.518
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)NCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N3O6S/c1-4-11-29-17-8-7-13(30(27,28)21-10-9-18(24)25)12-15(17)19-22-16(6-3)14(5-2)20(26)23-19/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,24,25)(H,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWVOWMWGKQZVSU-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