General Information of the Compound
| Compound ID |
CP0447394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-[[5-fluoro-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-2-methylphenyl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28FN5O4S
|
||||||||||||||||||
| Molecular Weight |
501.584
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccc(C)c(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28FN5O4S/c1-16-4-5-19(10-17(16)15-31)29(2)23-22(25)14-26-24(28-23)27-18-11-20(30-6-8-34-9-7-30)13-21(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QSTNFLZQNNYKIM-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