General Information of the Compound
| Compound ID |
CP0938648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Isopropyl 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)phosphoryl)amino)-2-methylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28BrClN3O9P
|
||||||||||||||||||
| Molecular Weight |
624.809
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)C(C)(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/C22H28BrClN3O9P/c1-13(2)34-19(30)21(3,4)26-37(32,36-14-8-6-5-7-9-14)33-12-15-17(29)22(23,24)18(35-15)27-11-10-16(28)25-20(27)31/h5-11,13,15,17-18,29H,12H2,1-4H3,(H,26,32)(H,25,28,31)/t15-,17-,18-,22+,37?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFCFHEGXJIEMJT-YNOUUVCRSA-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