General Information of the Compound
| Compound ID |
CP0438182
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-(5-methylisoxazol-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N8O6
|
||||||||||||||||||
| Molecular Weight |
432.397
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N8O6/c1-3-18-15(28)12-10(26)11(27)16(30-12)25-6-21-9-13(19-5-20-14(9)25)23-17(29)22-8-4-7(2)31-24-8/h4-6,10-12,16,26-27H,3H2,1-2H3,(H,18,28)(H2,19,20,22,23,24,29)/t10-,11+,12-,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPRMYLPKMLLUDW-MEQWQQMJSA-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