General Information of the Compound
| Compound ID |
CP0446408
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13ClFN3O2S
|
||||||||||||||||||
| Molecular Weight |
365.817
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13ClFN3O2S/c1-8-12(16(22)23-2)13(10-4-3-9(18)7-11(10)17)21-14(20-8)15-19-5-6-24-15/h3-7,13H,1-2H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMZPEPRAOFNSQH-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