General Information of the Compound
| Compound ID |
CP0579110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4R,5S)-4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-2-iodopurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27IN6O5
|
||||||||||||||||||
| Molecular Weight |
594.41
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(I)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27IN6O5/c1-25-21(33)23-9-12(23)16(17(31)18(23)32)30-10-27-15-19(28-22(24)29-20(15)30)26-7-6-11-4-5-13(34-2)14(8-11)35-3/h4-5,8,10,12,16-18,31-32H,6-7,9H2,1-3H3,(H,25,33)(H,26,28,29)/t12-,16-,17+,18+,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLDRFBQDVJOILS-BGCLTTEDSA-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 | |||||||||||||||||||
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