General Information of the Compound
| Compound ID |
CP0536847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 175
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33N3O4
|
||||||||||||||||||
| Molecular Weight |
511.622
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(C)(NC2=O)C(=O)NCCCc2ccccc2)c2ccc(C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33N3O4/c1-21-11-13-23(14-12-21)26-20-31(2,30(37)32-19-7-10-22-8-5-4-6-9-22)34-29(36)27(26)28(35)33-24-15-17-25(38-3)18-16-24/h4-6,8-9,11-18H,7,10,19-20H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDRXCIKDGLHVNQ-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