General Information of the Compound
| Compound ID |
CP0969675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-(2-pyridyl)ethyl]cyclopentane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5O2
|
||||||||||||||||||
| Molecular Weight |
339.399
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccccn2)[C@@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5O2/c19-17-13-6-8-23(18(13)22-10-21-17)14-9-11(15(24)16(14)25)4-5-12-3-1-2-7-20-12/h1-3,6-8,10-11,14-16,24-25H,4-5,9H2,(H2,19,21,22)/t11-,14+,15+,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFKPRXYOLNDFEW-SRMUXQRQSA-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