General Information of the Compound
| Compound ID |
CP0149500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-6-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;azane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H36N9O13P3
|
||||||||||||||||||
| Molecular Weight |
655.436
|
||||||||||||||||||
| 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]2OC3(CCCCC3)O[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H24N5O13P3.4H3N/c17-13-10-14(19-7-18-13)21(8-20-10)15-12-11(31-16(32-12)4-2-1-3-5-16)9(30-15)6-29-36(25,26)34-37(27,28)33-35(22,23)24;;;;/h7-9,11-12,15H,1-6H2,(H,25,26)(H,27,28)(H2,17,18,19)(H2,22,23,24);4*1H3/t9-,11-,12-,15-;;;;/m1..../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYODNHHKQWEUOO-GLBHFFKESA-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