General Information of the Compound
| Compound ID |
CP0863215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-Chlorophenethyl)-3-((1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClN2O3
|
||||||||||||||||||
| Molecular Weight |
402.922
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1[C@H](N2C(=O)CC(=O)N(CCc3ccc(Cl)cc3)C2=O)C[C@@H]2C[C@H]1C2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClN2O3/c1-13-17-10-15(22(17,2)3)11-18(13)25-20(27)12-19(26)24(21(25)28)9-8-14-4-6-16(23)7-5-14/h4-7,13,15,17-18H,8-12H2,1-3H3/t13-,15+,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHIWYZPUXXEVIX-AETAKHFUSA-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