General Information of the Compound
| Compound ID |
CP0906036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chlorobenzyl)-N-(3-(2-methylpiperidin-1-yl)propyl)-1,3-dioxoisoindoline-5-carboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
490.431
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCCN1CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClN3O3.ClH/c1-17-5-2-3-13-28(17)14-4-12-27-23(30)19-8-11-21-22(15-19)25(32)29(24(21)31)16-18-6-9-20(26)10-7-18;/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,27,30);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYQNYHQDQGLRDH-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