General Information of the Compound
Compound ID
CP0381681
Compound Name
N-(4-fluorophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
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Structure
Formula
C22H21FN2O4S
Molecular Weight
428.485
Canonical SMILES
Fc1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
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InChI
InChI=1S/C22H21FN2O4S/c23-18-6-8-19(9-7-18)25-22(26)16-29-20-10-12-21(13-11-20)30(27,28)24-15-14-17-4-2-1-3-5-17/h1-13,24H,14-16H2,(H,25,26)
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InChIKey
KWJNXEMHHUQMNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.3642
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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).

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PubChem ID
CID: 1006212
ChEMBL ID
CHEMBL3613988
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
Protein ID: PT03624, Phosphatidylcholine:ceramide cholinephosphotransferase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 10500 nM
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