General Information of the Compound
| Compound ID |
CP0552224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3S,4R,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24ClN4O7P
|
||||||||||||||||||
| Molecular Weight |
462.827
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24ClN4O7P/c18-12-5-10(20-9-3-1-2-4-9)13-16(21-12)22(7-19-13)17-15(24)14(23)11(29-17)6-28-8-30(25,26)27/h5,7,9,11,14-15,17,23-24H,1-4,6,8H2,(H,20,21)(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDDDBCBRQCCGKR-BNGXUDDSSA-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