General Information of the Compound
| Compound ID |
CP0579184
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10906888, Example 132
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N6O3
|
||||||||||||||||||
| Molecular Weight |
396.451
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(COC2)c2cnccn2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N6O3/c27-17(26-6-1-19(12-26)2-7-28-8-3-19)15-9-23-18(24-10-15)25-20(13-29-14-20)16-11-21-4-5-22-16/h4-5,9-11H,1-3,6-8,12-14H2,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULWCEJKZARPREP-UHFFFAOYSA-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