General Information of the Compound
| Compound ID |
CP0817451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-methoxymethyl-tetrahydro-furan-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClIN5O4
|
||||||||||||||||||
| Molecular Weight |
531.738
|
||||||||||||||||||
| Canonical SMILES |
COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClIN5O4/c1-28-7-11-13(26)14(27)17(29-11)25-8-22-12-15(23-18(19)24-16(12)25)21-6-9-3-2-4-10(20)5-9/h2-5,8,11,13-14,17,26-27H,6-7H2,1H3,(H,21,23,24)/t11-,13-,14-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVYDOJWIEYGRHJ-LSCFUAHRSA-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