General Information of the Compound
| Compound ID |
CP0438923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[3-(2-morpholin-4-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22F3N7O2
|
||||||||||||||||||
| Molecular Weight |
545.525
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1cnc(nc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22F3N7O2/c29-28(30,31)21-5-1-4-19(13-21)26(39)36-22-6-2-3-18(14-22)24-7-8-32-25-23(17-35-38(24)25)20-15-33-27(34-16-20)37-9-11-40-12-10-37/h1-8,13-17H,9-12H2,(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKFNOCRNIKWHQY-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