General Information of the Compound
| Compound ID |
CP0918005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(4-Chlorophenethyl)-3-(2,2-dimethylcyclopentyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClN2O3
|
||||||||||||||||||
| Molecular Weight |
362.857
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCC[C@@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClN2O3/c1-19(2)10-3-4-15(19)22-17(24)12-16(23)21(18(22)25)11-9-13-5-7-14(20)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCLRPHBXNOKMFE-HNNXBMFYSA-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