General Information of the Compound
| Compound ID |
CP0410839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-hydroxy-4-methylphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15N3O4
|
||||||||||||||||||
| Molecular Weight |
325.324
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(N2CC=C(NC2=O)c2cccc(c2)[N+]([O-])=O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15N3O4/c1-11-5-6-15(16(21)9-11)19-8-7-14(18-17(19)22)12-3-2-4-13(10-12)20(23)24/h2-7,9-10,21H,8H2,1H3,(H,18,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSBSUTQTDUBKTI-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