General Information of the Compound
| Compound ID |
CP0943089
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-((((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propyl 3-methoxy-2-methylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30BrClN3O10P
|
||||||||||||||||||
| Molecular Weight |
654.835
|
||||||||||||||||||
| Canonical SMILES |
COCC(C)C(=O)OC[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](Cl)(Br)[C@@H]1O)Oc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30BrClN3O10P/c1-14(11-34-3)20(31)35-12-15(2)27-39(33,38-16-7-5-4-6-8-16)36-13-17-19(30)23(24,25)21(37-17)28-10-9-18(29)26-22(28)32/h4-10,14-15,17,19,21,30H,11-13H2,1-3H3,(H,27,33)(H,26,29,32)/t14?,15-,17+,19+,21+,23-,39?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYGPIPRDVIFOPV-XTJRYKKJSA-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