General Information of the Compound
| Compound ID |
CP0554513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 167
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N4O4
|
||||||||||||||||||
| Molecular Weight |
446.507
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCCC2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N4O4/c1-2-16-15-22(30)27-28-24(16)18-7-10-20-21(14-18)33-25(26-20)17-5-8-19(9-6-17)32-13-12-29-11-3-4-23(29)31/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMGVAGZBYCNKFH-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