General Information of the Compound
| Compound ID |
CP0574698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 233
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O3
|
||||||||||||||||||
| Molecular Weight |
446.551
|
||||||||||||||||||
| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC2CCCCN2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O3/c1-3-17-15-24(31)28-29-25(17)19-9-12-22-23(14-19)33-26(27-22)18-7-10-21(11-8-18)32-16-20-6-4-5-13-30(20)2/h7-12,14,17,20H,3-6,13,15-16H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYENEDPSXSSQTG-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