General Information of the Compound
| Compound ID |
CP0489275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[[2-amino-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H16N6OS3
|
||||||||||||||||||
| Molecular Weight |
368.513
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2csc(C)n2)nc2nc(N)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H16N6OS3/c1-6(3-20)15-10-9-11(17-12(14)23-9)19-13(18-10)22-5-8-4-21-7(2)16-8/h4,6,20H,3,5H2,1-2H3,(H3,14,15,17,18,19)/t6-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJGJIFFXQVCHPF-ZCFIWIBFSA-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