General Information of the Compound
| Compound ID |
CP0532683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8933079, 4.11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26BrN3O4
|
||||||||||||||||||
| Molecular Weight |
512.404
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26BrN3O4/c1-18-12-19(15-28-8-10-32-11-9-28)2-5-23(18)24(30)16-29-7-6-22(13-25(29)31)33-17-21-4-3-20(26)14-27-21/h2-7,12-14H,8-11,15-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VISHLLJNOKGYBF-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