General Information of the Compound
| Compound ID |
CP0435414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl morpholine-4-carbodithioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27FN6O3S2
|
||||||||||||||||||
| Molecular Weight |
554.673
|
||||||||||||||||||
| Canonical SMILES |
Fc1cnc(Nc2ccc(OCCSC(=S)N3CCOCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27FN6O3S2/c1-2-23(34)29-19-4-3-5-20(16-19)30-24-22(27)17-28-25(32-24)31-18-6-8-21(9-7-18)36-14-15-38-26(37)33-10-12-35-13-11-33/h2-9,16-17H,1,10-15H2,(H,29,34)(H2,28,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIKGMLUHROQSOV-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