General Information of the Compound
| Compound ID |
CP0855410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3R,4R,5S)-1-(4-hydroxy-1-(diphosphoryloxymethyl)-2-oxabicyclo[3.1.0]hexan-3-yl)pyrimidine-2,4(1H,3H)-dione ammonium salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H17N3O11P2
|
||||||||||||||||||
| Molecular Weight |
417.204
|
||||||||||||||||||
| Canonical SMILES |
N.O=c1ccn([C@@H]2O[C@@]3(COP(=O)(O)OP(=O)(O)O)C[C@H]3[C@H]2O)c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H14N2O11P2.H3N/c13-6-1-2-12(9(15)11-6)8-7(14)5-3-10(5,22-8)4-21-25(19,20)23-24(16,17)18;/h1-2,5,7-8,14H,3-4H2,(H,19,20)(H,11,13,15)(H2,16,17,18);1H3/t5-,7+,8+,10+;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXJABDDMGZVROP-NHKCKVKZSA-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