General Information of the Compound
| Compound ID |
CP0933148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-methyl-benzyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (2-piperidin-1-yl-ethyl)-amide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
441.959
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1CN1C(=O)c2ccc(C(=O)NCCN3CCCCC3)cc2C1=O.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O3.ClH/c1-17-7-3-4-8-19(17)16-27-23(29)20-10-9-18(15-21(20)24(27)30)22(28)25-11-14-26-12-5-2-6-13-26;/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,25,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRJCDUZMBIFSHZ-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