General Information of the Compound
| Compound ID |
CP0431038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12N6O3
|
||||||||||||||||||
| Molecular Weight |
288.267
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(-c2ccc[nH]2)[n+]([O-])c2c1nc(=O)n(C)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N6O3/c1-3-17-10-8(11(19)16(2)12(20)14-10)18(21)9(15-17)7-5-4-6-13-7/h4-6,13H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIWXMFLDVRLOKL-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