General Information of the Compound
| Compound ID |
CP0063611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9353093, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N4O2
|
||||||||||||||||||
| Molecular Weight |
412.493
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2cc3ccccc3n2C(N)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N4O2/c1-16(2)18-7-5-8-21(14-18)28-25(31)27-20-12-10-17(11-13-20)23-15-19-6-3-4-9-22(19)29(23)24(26)30/h3-16H,1-2H3,(H2,26,30)(H2,27,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEUJPSURIIRPKP-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