General Information of the Compound
| Compound ID |
CP0491114
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802663, 98
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O4
|
||||||||||||||||||
| Molecular Weight |
408.458
|
||||||||||||||||||
| Canonical SMILES |
COCc1c(cnn1C1CCCCC1)-c1nc(no1)-c1ccc(\C=C\C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O4/c1-29-14-19-18(13-23-26(19)17-5-3-2-4-6-17)22-24-21(25-30-22)16-10-7-15(8-11-16)9-12-20(27)28/h7-13,17H,2-6,14H2,1H3,(H,27,28)/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQVANMOSESXKBK-FMIVXFBMSA-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