General Information of the Compound
| Compound ID |
CP0023349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]phenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19F3N6O
|
||||||||||||||||||
| Molecular Weight |
464.451
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1nc(C#Cc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)c2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19F3N6O/c1-14(2)33-22-20(21(28)29-13-30-22)19(32-33)10-9-15-5-3-8-18(11-15)31-23(34)16-6-4-7-17(12-16)24(25,26)27/h3-8,11-14H,1-2H3,(H,31,34)(H2,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYUZAHPHSBKPPK-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