General Information of the Compound
| Compound ID |
CP0556932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 211
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O4
|
||||||||||||||||||
| Molecular Weight |
393.443
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(C)O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O4/c1-3-14-11-20(27)24-25-21(14)16-6-9-18-19(10-16)29-22(23-18)15-4-7-17(8-5-15)28-12-13(2)26/h4-10,13-14,26H,3,11-12H2,1-2H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGXOGLKXZUWTGH-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