General Information of the Compound
| Compound ID |
CP0091666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17N5O3S
|
||||||||||||||||||
| Molecular Weight |
323.378
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncc(-c2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17N5O3S/c14-13-16-4-7(12-15-1-2-22-12)11(18-13)17-8-3-6(5-19)9(20)10(8)21/h1-2,4,6,8-10,19-21H,3,5H2,(H3,14,16,17,18)/t6-,8-,9-,10+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNSJWBXVVFXHFA-QQRDMOCMSA-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