General Information of the Compound
| Compound ID |
CP0401584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H22N3O15P3
|
||||||||||||||||||
| Molecular Weight |
589.28
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NOCc2ccccc2)nc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H22N3O15P3/c20-13-11(9-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-7-6-12(17-16(19)22)18-30-8-10-4-2-1-3-5-10/h1-7,11,13-15,20-21H,8-9H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQIJGMRNEJCCQG-NMFUWQPSSA-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: PT04714, P2Y purinoceptor 2
Protein ID: PT05219, P2Y purinoceptor 4
Protein ID: PT02796, P2Y purinoceptor 6