General Information of the Compound
| Compound ID |
CP0567540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-fluorophenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33FN10O2
|
||||||||||||||||||
| Molecular Weight |
596.671
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4cccc(F)c4)cc3)n2)-c2cnn(CCN3CCOCC3)c2)[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33FN10O2/c1-21-15-29(40-39-21)37-28-18-27(23-19-33-42(20-23)10-9-41-11-13-44-14-12-41)36-31(38-28)35-25-7-5-22(6-8-25)16-30(43)34-26-4-2-3-24(32)17-26/h2-8,15,17-20H,9-14,16H2,1H3,(H,34,43)(H3,35,36,37,38,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWCGQLGQDLQSKO-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 | |||||||||||||||||||
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