General Information of the Compound
| Compound ID |
CP0492532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 90
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N4O2
|
||||||||||||||||||
| Molecular Weight |
400.482
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CCCNCc2c2ccc(nc12)-n1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N4O2/c1-27-21-8-5-12-25-15-20(21)19-9-10-22(26-24(19)27)28-13-11-18(14-23(28)29)30-16-17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,25H,5,8,12,15-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRTNTWNGAWQNLV-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