General Information of the Compound
| Compound ID |
CP0512807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,7-dichloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24Cl3N3O
|
||||||||||||||||||
| Molecular Weight |
452.813
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3c2cc(Cl)cc3Cl)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24Cl3N3O/c23-15-4-6-17(7-5-15)28-11-9-27(10-12-28)8-2-1-3-18-19-13-16(24)14-20(25)21(19)26-22(18)29/h4-7,13-14,18H,1-3,8-12H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJHZLZCXLMKSGN-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