General Information of the Compound
| Compound ID |
CP0487903
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;azane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H28N9O13P3
|
||||||||||||||||||
| Molecular Weight |
587.317
|
||||||||||||||||||
| Canonical SMILES |
N.N.N.N.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]2OCO[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H16N5O13P3.4H3N/c12-9-6-10(14-2-13-9)16(3-15-6)11-8-7(24-4-25-8)5(27-11)1-26-31(20,21)29-32(22,23)28-30(17,18)19;;;;/h2-3,5,7-8,11H,1,4H2,(H,20,21)(H,22,23)(H2,12,13,14)(H2,17,18,19);4*1H3/t5-,7-,8-,11-;;;;/m1..../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUSWNBNJCUGXNH-WHEJUCFXSA-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: PT04758, P2X purinoceptor 1
Protein ID: PT04148, P2X purinoceptor 2
Protein ID: PT03393, P2X purinoceptor 3
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7