General Information of the Compound
| Compound ID |
CP0570434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl N-methylcarbamodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23FN6O2S2
|
||||||||||||||||||
| Molecular Weight |
498.609
|
||||||||||||||||||
| Canonical SMILES |
CNC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23FN6O2S2/c1-3-20(31)27-16-5-4-6-17(13-16)28-21-19(24)14-26-22(30-21)29-15-7-9-18(10-8-15)32-11-12-34-23(33)25-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,33)(H,27,31)(H2,26,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWPDLBGZMBCIDB-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