General Information of the Compound
| Compound ID |
CP0935594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,4,5-Trimethoxyphenylamino)-6-(tetralonyl-1-oxime-5-oxy)-pyrazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O5
|
||||||||||||||||||
| Molecular Weight |
422.441
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2cncc(Oc3ccc4c(c3)/C(=N/O)CC4)n2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O5/c1-28-18-8-14(9-19(29-2)22(18)30-3)24-20-11-23-12-21(25-20)31-15-6-4-13-5-7-17(26-27)16(13)10-15/h4,6,8-12,27H,5,7H2,1-3H3,(H,24,25)/b26-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZQWMQMBTDLUTB-YZSQISJMSA-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