General Information of the Compound
| Compound ID |
CP0860978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-Ethynyl-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H11IN2O5
|
||||||||||||||||||
| Molecular Weight |
378.122
|
||||||||||||||||||
| Canonical SMILES |
C#C[C@]1(CO)O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H11IN2O5/c1-2-11(5-15)7(16)3-8(19-11)14-4-6(12)9(17)13-10(14)18/h1,4,7-8,15-16H,3,5H2,(H,13,17,18)/t7-,8+,11+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTEFHMSUCAQLCL-VAOFZXAKSA-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