General Information of the Compound
Compound ID
CP0411429
Compound Name
N-(4-methoxyphenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
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Structure
Formula
C23H24N2O5S
Molecular Weight
440.521
Canonical SMILES
COc1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NCCc2ccccc2)cc1
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InChI
InChI=1S/C23H24N2O5S/c1-29-20-9-7-19(8-10-20)25-23(26)17-30-21-11-13-22(14-12-21)31(27,28)24-16-15-18-5-3-2-4-6-18/h2-14,24H,15-17H2,1H3,(H,25,26)
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InChIKey
XITKNHLDYGUFKC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2337
Rotatable Bonds
10
Heavy Atom Count
31
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 122189463
ChEMBL ID
CHEMBL3613989
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 > 50000 nM
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