General Information of the Compound
| Compound ID |
CP0954106
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-3-((2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN6O2
|
||||||||||||||||||
| Molecular Weight |
420.448
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN6O2/c23-12-7-14-15(9-26-18(14)25-8-12)21-28-19-13(5-6-24-19)20(29-21)27-17-11-3-1-10(2-4-11)16(17)22(30)31/h5-11,16-17H,1-4H2,(H,25,26)(H,30,31)(H2,24,27,28,29)/t10?,11?,16-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCDWPFDFFKOCNQ-VOGSPBGVSA-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