General Information of the Compound
| Compound ID |
CP0951119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)methyl)benzoic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N3O5
|
||||||||||||||||||
| Molecular Weight |
461.518
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(C(=O)O)cc5)CC4)ccc3C2=O)C(=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N3O5/c30-23-8-7-22(24(31)27-23)29-15-20-13-19(5-6-21(20)25(29)32)17-9-11-28(12-10-17)14-16-1-3-18(4-2-16)26(33)34/h1-6,13,17,22H,7-12,14-15H2,(H,33,34)(H,27,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKJBVLDYYTVASX-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