General Information of the Compound
| Compound ID |
CP0551723
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-4-ylmethyl)-2-(4-fluorophenyl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25FN2O5S
|
||||||||||||||||||
| Molecular Weight |
508.571
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CC(=O)N(CCc2ccc(cc2)S(=O)(=O)NCC#C)Cc2cccc3OCOc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25FN2O5S/c1-2-15-29-36(32,33)24-12-8-20(9-13-24)14-16-30(26(31)17-21-6-10-23(28)11-7-21)18-22-4-3-5-25-27(22)35-19-34-25/h1,3-13,29H,14-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTSNNKAIWCROBB-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