General Information of the Compound
| Compound ID |
CP0492890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Oxopyrimidine, 29c
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15F3N4O
|
||||||||||||||||||
| Molecular Weight |
396.372
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15F3N4O/c1-25-18-10-7-14-3-2-4-17(20(14)28-18)29-19-11-16(26-12-27-19)13-5-8-15(9-6-13)21(22,23)24/h2-12H,1H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVPIXDBQIOAONG-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