General Information of the Compound
| Compound ID |
CP0130009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-methoxypyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5O4S
|
||||||||||||||||||
| Molecular Weight |
403.464
|
||||||||||||||||||
| Canonical SMILES |
COc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5O4S/c1-27-16-12(17-21-9-4-2-3-5-11(9)28-17)15(22-18(19)23-16)20-10-6-8(7-24)13(25)14(10)26/h2-5,8,10,13-14,24-26H,6-7H2,1H3,(H3,19,20,22,23)/t8-,10-,13-,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTISBMQYTHNPMM-NKBRHBOISA-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