General Information of the Compound
| Compound ID |
CP0528481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4-acetylanilino)pyrimidin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
397.887
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClN3O2S/c1-13(25)14-4-8-17(9-5-14)23-19-10-11-22-20(24-19)27-12-18(26)15-2-6-16(21)7-3-15/h2-11H,12H2,1H3,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYHOSIAPIOFHKD-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