General Information of the Compound
| Compound ID |
CP0536304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8933079, 1.18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N2O4
|
||||||||||||||||||
| Molecular Weight |
458.558
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CC3CC(C2)C3O)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O4/c1-19-11-21(14-29-15-22-12-23(16-29)28(22)33)7-8-25(19)26(31)17-30-10-9-24(13-27(30)32)34-18-20-5-3-2-4-6-20/h2-11,13,22-23,28,33H,12,14-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPJAPBFBXJXMOO-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