General Information of the Compound
Compound ID
CP0411428
Compound Name
N-(2-phenylethyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
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Structure
Formula
C24H26N2O4S
Molecular Weight
438.549
Canonical SMILES
O=C(COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)NCCc1ccccc1
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InChI
InChI=1S/C24H26N2O4S/c27-24(25-17-15-20-7-3-1-4-8-20)19-30-22-11-13-23(14-12-22)31(28,29)26-18-16-21-9-5-2-6-10-21/h1-14,26H,15-19H2,(H,25,27)
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InChIKey
RQCSCGRWUBKTII-UHFFFAOYSA-N
Physicochemical Property
logP
2.9453
Rotatable Bonds
11
Heavy Atom Count
31
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 122189459
ChEMBL ID
CHEMBL3613981
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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