General Information of the Compound
| Compound ID |
CP0479758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2R,3S,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N3O11P2
|
||||||||||||||||||
| Molecular Weight |
505.313
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)c2ccccc2)nc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N3O11P2/c21-13-11(8-30-33(28,29)9-32(25,26)27)31-16(14(13)22)20-7-6-12(19-17(20)24)18-15(23)10-4-2-1-3-5-10/h1-7,11,13-14,16,21-22H,8-9H2,(H,28,29)(H2,25,26,27)(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASYUOBCZEDPJCB-XKVFNRALSA-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
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT02796, P2Y purinoceptor 6