General Information of the Compound
| Compound ID |
CP0002782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[(1S)-1-[1-oxo-2-phenyl-8-(2-pyridin-4-ylethynyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H23N7O2
|
||||||||||||||||||
| Molecular Weight |
525.572
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3ccncc3)c2c(=O)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H23N7O2/c1-20(35-30(39)27-28(32)36-37-18-6-15-34-29(27)37)25-19-23-8-5-7-22(12-11-21-13-16-33-17-14-21)26(23)31(40)38(25)24-9-3-2-4-10-24/h2-10,13-20H,1H3,(H2,32,36)(H,35,39)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFRGEOCULIALIZ-FQEVSTJZSA-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