General Information of the Compound
Compound ID |
CP0545557
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-[3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propyl]-1H-benzimidazol-2-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C20H23FN4O3S
|
||||||||||||||||||
Molecular Weight |
418.494
|
||||||||||||||||||
Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C20H23FN4O3S/c21-16-6-8-17(9-7-16)29(27,28)24-14-12-23(13-15-24)10-3-11-25-19-5-2-1-4-18(19)22-20(25)26/h1-2,4-9H,3,10-15H2,(H,22,26)
Show/Hide
|
||||||||||||||||||
InChIKey |
YWNZZFDOQUPFDM-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 |
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