General Information of the Compound
| Compound ID |
CP0876585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Methyl-5-(isopropyloxycarbonyl)-4-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-thione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17N3O4S
|
||||||||||||||||||
| Molecular Weight |
335.385
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)NC(=S)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N3O4S/c1-8(2)22-14(19)12-9(3)16-15(23)17-13(12)10-5-4-6-11(7-10)18(20)21/h4-8,13H,1-3H3,(H2,16,17,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPWCZDIAJOUDBH-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