General Information of the Compound
Compound ID
CP0544821
Compound Name
N-(4-fluoro-2-methoxyphenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
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Structure
Formula
C23H23FN2O5S
Molecular Weight
458.511
Canonical SMILES
COc1cc(F)ccc1NC(=O)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
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InChI
InChI=1S/C23H23FN2O5S/c1-30-22-15-18(24)7-12-21(22)26-23(27)16-31-19-8-10-20(11-9-19)32(28,29)25-14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,26,27)
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InChIKey
JVKDQMAGTOXLKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3728
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 122189468
ChEMBL ID
CHEMBL3613996
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 > 100000 nM
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