General Information of the Compound
| Compound ID |
CP0527009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiperidin-3-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25BrN2O4
|
||||||||||||||||||
| Molecular Weight |
485.378
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25BrN2O4/c25-20-6-4-16(5-7-20)15-27-12-9-18(10-13-27)24(11-8-21(28)26-23(24)31)19-3-1-2-17(14-19)22(29)30/h1-7,14,18H,8-13,15H2,(H,29,30)(H,26,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQMXJQWDXBFCHC-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