General Information of the Compound
| Compound ID |
CP0861744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-1-Methyl 5-isopropyl4-methyl-6-(3-nitrophenyl)-2-oxo-2,3-dihydropyrimidine-1,5(6H)-dicarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O7
|
||||||||||||||||||
| Molecular Weight |
377.353
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1C(=O)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O7/c1-9(2)27-15(21)13-10(3)18-16(22)19(17(23)26-4)14(13)11-6-5-7-12(8-11)20(24)25/h5-9,14H,1-4H3,(H,18,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYAYYORCSGKDDP-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
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D