General Information of the Compound
| Compound ID |
CP0506970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8933079, 1.4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O4
|
||||||||||||||||||
| Molecular Weight |
432.52
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O4/c1-20-15-22(17-27-11-13-31-14-12-27)7-8-24(20)25(29)18-28-10-9-23(16-26(28)30)32-19-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTNFMHGMHIVFHX-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