General Information of the Compound
| Compound ID |
CP0499115
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(hydroxymethyl)phenyl]-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15N3O4
|
||||||||||||||||||
| Molecular Weight |
325.324
|
||||||||||||||||||
| Canonical SMILES |
OCc1cccc(c1)N1CC=C(NC1=O)c1cccc(c1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15N3O4/c21-11-12-3-1-5-14(9-12)19-8-7-16(18-17(19)22)13-4-2-6-15(10-13)20(23)24/h1-7,9-10,21H,8,11H2,(H,18,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVUGIZRCFCWDLB-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