General Information of the Compound
| Compound ID |
CP0968365
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-5-[4-amino-5-[(2R)-tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-[[2-(azetidin-1-yl)-7-quinolyl]oxymethyl]-4-fluoro-tetrahydrofuran-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN6O4
|
||||||||||||||||||
| Molecular Weight |
520.565
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2c1c([C@H]1CCCO1)cn2[C@@H]1O[C@H](COc2ccc3ccc(N4CCC4)nc3c2)[C@@H](O)[C@@H]1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN6O4/c28-23-24(35)20(13-37-16-6-4-15-5-7-21(32-18(15)11-16)33-8-2-9-33)38-27(23)34-12-17(19-3-1-10-36-19)22-25(29)30-14-31-26(22)34/h4-7,11-12,14,19-20,23-24,27,35H,1-3,8-10,13H2,(H2,29,30,31)/t19-,20-,23+,24-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRQAURCOIDGAEQ-NPJGLXLGSA-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