General Information of the Compound
| Compound ID |
CP0440264
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4-acetylanilino)pyrimidin-2-yl]sulfanyl-1-(4-phenylphenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21N3O2S
|
||||||||||||||||||
| Molecular Weight |
439.54
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21N3O2S/c1-18(30)19-11-13-23(14-12-19)28-25-15-16-27-26(29-25)32-17-24(31)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHNRYYQAKHCOOC-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