General Information of the Compound
| Compound ID |
CP0553258
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[2-[4-amino-1-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24F3N7O
|
||||||||||||||||||
| Molecular Weight |
519.531
|
||||||||||||||||||
| Canonical SMILES |
CN1CC[C@H](C1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24F3N7O/c1-16-6-8-20(34-26(38)18-4-3-5-19(12-18)27(28,29)30)13-17(16)7-9-22-23-24(31)32-15-33-25(23)37(35-22)21-10-11-36(2)14-21/h3-6,8,12-13,15,21H,10-11,14H2,1-2H3,(H,34,38)(H2,31,32,33)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNLOMIKOARFGGZ-OAQYLSRUSA-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