General Information of the Compound
| Compound ID |
CP0443043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 3.1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O4
|
||||||||||||||||||
| Molecular Weight |
393.443
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)OCc3ccccc3)cc2)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O4/c1-15-20(12-21(26)27)16(2)25(24-15)13-17-8-10-19(11-9-17)23-22(28)29-14-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,23,28)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJALUVMCUYAMMM-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 | |||||||||||||||||||
| 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