General Information of the Compound
| Compound ID |
CP0869030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-isopropyl 2-((S)-(((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)(3-methoxyphenoxy)phosphorylamino)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28BrClN3O10P
|
||||||||||||||||||
| Molecular Weight |
640.808
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@](Cl)(Br)[C@@H]2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28BrClN3O10P/c1-12(2)35-19(30)13(3)26-38(32,37-15-7-5-6-14(10-15)33-4)34-11-16-18(29)22(23,24)20(36-16)27-9-8-17(28)25-21(27)31/h5-10,12-13,16,18,20,29H,11H2,1-4H3,(H,26,32)(H,25,28,31)/t13-,16+,18+,20+,22-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWCJLMUHCBQTDH-YUHGPPKISA-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