General Information of the Compound
| Compound ID |
CP0378471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1'R,2'S,4'R,5'S)-phosphoric acid mono-[4-(2-cyano-6-methylaminopurin-9-yl)-1-phosphonooxymethyl-bicyclo[3.1.0]hex-2-yl]ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H18N6O8P2
|
||||||||||||||||||
| Molecular Weight |
460.28
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18N6O8P2/c1-16-12-11-13(19-10(4-15)18-12)20(6-17-11)8-2-9(28-30(24,25)26)14(3-7(8)14)5-27-29(21,22)23/h6-9H,2-3,5H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZMCJQGMBZKTHT-JWUFEOHASA-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