General Information of the Compound
Compound ID
CP0456633
Compound Name
N-[(4-chlorophenyl)methyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
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Structure
Formula
C21H19ClN2O4S
Molecular Weight
430.913
Canonical SMILES
Clc1ccc(CNC(=O)COc2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
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InChI
InChI=1S/C21H19ClN2O4S/c22-17-8-6-16(7-9-17)14-23-21(25)15-28-19-10-12-20(13-11-19)29(26,27)24-18-4-2-1-3-5-18/h1-13,24H,14-15H2,(H,23,25)
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InChIKey
FEONDTSMDJVUGQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.836
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 4028251
ChEMBL ID
CHEMBL3613980
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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