General Information of the Compound
| Compound ID |
CP0513285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[5-chloro-2-[3-methoxy-4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31ClN6O4
|
||||||||||||||||||
| Molecular Weight |
539.036
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(24(17-21)36-2)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZDPYLDVRGJKDOU-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