General Information of the Compound
| Compound ID |
CP0407910
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-3-ethyl-1H-indol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32ClN3O
|
||||||||||||||||||
| Molecular Weight |
426.004
|
||||||||||||||||||
| Canonical SMILES |
CCC1(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32ClN3O/c1-2-25(22-8-4-5-9-23(22)27-24(25)30)14-6-3-7-15-28-16-18-29(19-17-28)21-12-10-20(26)11-13-21/h4-5,8-13H,2-3,6-7,14-19H2,1H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLEDBTDMYSFCBM-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