General Information of the Compound
| Compound ID |
CP0399742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-6-fluoro-1H-indol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29ClFN3O
|
||||||||||||||||||
| Molecular Weight |
429.967
|
||||||||||||||||||
| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2cc(F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29ClFN3O/c1-2-24(21-9-8-19(26)17-22(21)27-23(24)30)10-3-4-11-28-12-14-29(15-13-28)20-7-5-6-18(25)16-20/h5-9,16-17H,2-4,10-15H2,1H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZZHRSCMSVPSESL-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