General Information of the Compound
| Compound ID |
CP0539604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-bromo-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27BrFN6O7P
|
||||||||||||||||||
| Molecular Weight |
617.369
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@](F)(Br)[C@H]1O)Oc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27BrFN6O7P/c1-12(2)35-20(32)13(3)29-38(33,37-14-7-5-4-6-8-14)34-9-15-17(31)22(23,24)21(36-15)30-11-28-16-18(25)26-10-27-19(16)30/h4-8,10-13,15,17,21,31H,9H2,1-3H3,(H,29,33)(H2,25,26,27)/t13-,15+,17-,21+,22-,38?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJJYOQHSVZJUGN-GPTYUUDZSA-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