General Information of the Compound
| Compound ID |
CP0552016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22FN7O
|
||||||||||||||||||
| Molecular Weight |
407.453
|
||||||||||||||||||
| Canonical SMILES |
CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22FN7O/c1-12-7-16-13(5-4-6-23-16)8-15(12)25-20-24-9-17-19(26-20)29(21(30)28(17)3)18-11-27(2)10-14(18)22/h4-9,14,18H,10-11H2,1-3H3,(H,24,25,26)/t14-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRERCWQPCPCMRM-RDTXWAMCSA-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