General Information of the Compound
| Compound ID |
CP0545252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-(2-chloro-4-fluorophenyl)-6-(piperidin-1-ylmethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24ClFN4O2S
|
||||||||||||||||||
| Molecular Weight |
462.978
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(CN2CCCCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24ClFN4O2S/c1-2-30-22(29)18-17(13-28-9-4-3-5-10-28)26-20(21-25-8-11-31-21)27-19(18)15-7-6-14(24)12-16(15)23/h6-8,11-12,19H,2-5,9-10,13H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANUAOWFSFJHYMP-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