General Information of the Compound
| Compound ID |
CP0554812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2R,3R,4S,5R)-5-[2-chloro-6-(propan-2-ylamino)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H21ClFN5O8P2
|
||||||||||||||||||
| Molecular Weight |
503.748
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H21ClFN5O8P2/c1-6(2)18-11-9-12(20-14(15)19-11)21(4-17-9)13-8(16)10(22)7(29-13)3-28-31(26,27)5-30(23,24)25/h4,6-8,10,13,22H,3,5H2,1-2H3,(H,26,27)(H,18,19,20)(H2,23,24,25)/t7-,8+,10-,13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZUAHXNZUGUETQ-DHWQRIIYSA-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