General Information of the Compound
| Compound ID |
CP0301726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3,5-trimethyl-6-(3-phenylphenoxy)pyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N3O3
|
||||||||||||||||||
| Molecular Weight |
361.401
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N3O3/c1-22-17-13-18(23(2)19(17)20(25)24(3)21(22)26)27-16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-13H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTHJZJDQRGPHOW-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