General Information of the Compound
| Compound ID |
CP0486907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[[2-chloro-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-3-phenylpropyl] dimethyl phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27ClN5O8P
|
||||||||||||||||||
| Molecular Weight |
543.901
|
||||||||||||||||||
| Canonical SMILES |
COP(=O)(OC)OCC(Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27ClN5O8P/c1-32-36(31,33-2)34-10-13(8-12-6-4-3-5-7-12)24-18-15-19(26-21(22)25-18)27(11-23-15)20-17(30)16(29)14(9-28)35-20/h3-7,11,13-14,16-17,20,28-30H,8-10H2,1-2H3,(H,24,25,26)/t13?,14-,16-,17-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLJMNTGWQPBLOV-UEXBNONGSA-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