General Information of the Compound
Compound ID
CP0566602
Compound Name
2-[4-(2-phenylethylsulfamoyl)phenoxy]-N-[2-(trifluoromethoxy)phenyl]acetamide
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Structure
Formula
C23H21F3N2O5S
Molecular Weight
494.491
Canonical SMILES
FC(F)(F)Oc1ccccc1NC(=O)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
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InChI
InChI=1S/C23H21F3N2O5S/c24-23(25,26)33-21-9-5-4-8-20(21)28-22(29)16-32-18-10-12-19(13-11-18)34(30,31)27-15-14-17-6-2-1-3-7-17/h1-13,27H,14-16H2,(H,28,29)
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InChIKey
XLHGMYQRCAHOKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.1237
Rotatable Bonds
10
Heavy Atom Count
34
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 122189466
ChEMBL ID
CHEMBL3613994
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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