General Information of the Compound
| Compound ID |
CP0408960
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[5-chloro-2-[4-(diethoxyphosphorylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClN5O4P
|
||||||||||||||||||
| Molecular Weight |
515.938
|
||||||||||||||||||
| Canonical SMILES |
CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClN5O4P/c1-4-22(31)27-19-8-7-9-20(14-19)28-23-21(25)15-26-24(30-23)29-18-12-10-17(11-13-18)16-35(32,33-5-2)34-6-3/h4,7-15H,1,5-6,16H2,2-3H3,(H,27,31)(H2,26,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJFIGKPZNKAXAL-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