General Information of the Compound
| Compound ID |
CP0845901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-Chlorophenethyl)-3-((1S,2S)-2-hydroxycyclopentyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClN2O4
|
||||||||||||||||||
| Molecular Weight |
350.802
|
||||||||||||||||||
| Canonical SMILES |
O=C1CC(=O)N([C@H]2CCC[C@@H]2O)C(=O)N1CCc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19ClN2O4/c18-12-4-1-3-11(9-12)7-8-19-15(22)10-16(23)20(17(19)24)13-5-2-6-14(13)21/h1,3-4,9,13-14,21H,2,5-8,10H2/t13-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFSYFLRSPIQRJM-KBPBESRZSA-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