General Information of the Compound
| Compound ID |
CP0707883
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-hex-2-enyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N3O5
|
||||||||||||||||||
| Molecular Weight |
359.382
|
||||||||||||||||||
| Canonical SMILES |
CCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N3O5/c1-3-4-5-6-11-26-17(22)15-12(2)19-18(23)20-16(15)13-7-9-14(10-8-13)21(24)25/h5-10,16H,3-4,11H2,1-2H3,(H2,19,20,23)/b6-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LKWNKPNIQQNLME-AATRIKPKSA-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