General Information of the Compound
| Compound ID |
CP0137166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3R,5R)-5-aminooxan-3-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20FN7O2
|
||||||||||||||||||
| Molecular Weight |
409.425
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4COC[C@H](N)C4)c3n2)c2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20FN7O2/c1-28-16-4-10(21)2-3-13(16)17(27-28)15-7-24-19-18(26-15)14(6-23-19)20(29)25-12-5-11(22)8-30-9-12/h2-4,6-7,11-12H,5,8-9,22H2,1H3,(H,23,24)(H,25,29)/t11-,12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFPNGRVNEZGBGX-VXGBXAGGSA-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