General Information of the Compound
| Compound ID |
CP0500623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-fluoro-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F2N3O
|
||||||||||||||||||
| Molecular Weight |
385.458
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccc(F)cc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F2N3O/c23-16-4-7-18(8-5-16)27-13-11-26(12-14-27)10-2-1-3-19-20-15-17(24)6-9-21(20)25-22(19)28/h4-9,15,19H,1-3,10-14H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRLMQQYLKLURQQ-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