General Information of the Compound
| Compound ID |
CP0550183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8927539, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O2
|
||||||||||||||||||
| Molecular Weight |
416.525
|
||||||||||||||||||
| Canonical SMILES |
CC(=C)CC1(CCN(C(=O)O1)C(C)(C)c1cn(nn1)-c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O2/c1-19(2)17-25(20-11-7-5-8-12-20)15-16-28(23(30)31-25)24(3,4)22-18-29(27-26-22)21-13-9-6-10-14-21/h5-14,18H,1,15-17H2,2-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGZAMCWHHYZIFK-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