General Information of the Compound
| Compound ID |
CP0969671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
NA3-(5-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione formate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N3O5
|
||||||||||||||||||
| Molecular Weight |
489.572
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CC5CCC(C4)N5Cc4ccccc4)ccc3C2=O)C(=O)N1.O=CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O3.CH2O2/c31-25-11-10-24(26(32)28-25)30-16-20-12-18(6-9-23(20)27(30)33)19-13-21-7-8-22(14-19)29(21)15-17-4-2-1-3-5-17;2-1-3/h1-6,9,12,19,21-22,24H,7-8,10-11,13-16H2,(H,28,31,32);1H,(H,2,3)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATNBJEAKGBCWOB-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 | |||||||||||||||||||
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