General Information of the Compound
| Compound ID |
CP0402210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-(octylcarbamoylamino)purin-9-yl]oxolane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H33N7O5
|
||||||||||||||||||
| Molecular Weight |
463.539
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H33N7O5/c1-3-5-6-7-8-9-10-23-21(32)27-17-13-18(25-11-24-17)28(12-26-13)20-15(30)14(29)16(33-20)19(31)22-4-2/h11-12,14-16,20,29-30H,3-10H2,1-2H3,(H,22,31)(H2,23,24,25,27,32)/t14-,15+,16-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYLMRYZLYURFMX-KSVNGYGVSA-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