General Information of the Compound
| Compound ID |
CP0544969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(difluoromethoxy)-1-oxo-3H-isoindol-5-yl]-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F2N6O4
|
||||||||||||||||||
| Molecular Weight |
526.544
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F2N6O4/c1-12(13-2-3-13)33-10-16-8-15(9-19(38-26(27)28)20(16)25(33)37)17-6-7-34-23(30-17)21(22(29)32-34)24(36)31-18(11-35)14-4-5-14/h6-9,12-14,18,26,35H,2-5,10-11H2,1H3,(H2,29,32)(H,31,36)/t12-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHTQVEFWTQUXFU-SGTLLEGYSA-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