General Information of the Compound
Compound ID
CP0050361
Compound Name
ACETPHENETIDIN
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Synonyms
4'-Ethoxyacetanilide
4-Ethoxyacetanilide
62-44-2
Acetamide, N-(4-ethoxyphenyl)-
Acetophenetidin
Acetophenetidine
Acetophenetin
Acetphenetidin
Achrocidin
Codempiral
Commotional
Contradol
Contradouleur
Fenacetina
Fenidina
Fenina
Imidazo[4,5-e][1,4]diazapine nucleotide (I)
Kalmin
N-(4-Ethoxyphenyl)acetamide
Pertonal
Phenacet
Phenacetin
Phenacetine
Phenacetinum
Phenacitin
Phenazetin
Phenazetina
Phenedina
Phenidin
Phenin
Phenodyne
Pyraphen
Stellacyl
Tetracydin
p-Acetophenetide
p-Acetophenetidide
p-Acetophenetidine
p-Acetphenetidin
p-Ethoxyacetanilide
phenacetin
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Structure
Formula
C10H13NO2
Molecular Weight
179.219
Canonical SMILES
CCOc1ccc(NC(C)=O)cc1
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InChI
InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
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InChIKey
CPJSUEIXXCENMM-UHFFFAOYSA-N
CAS
62-44-2
Physicochemical Property
logP
2.0437
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 4754
SID: 14748329
ChEMBL ID
CHEMBL16073
DrugBank ID
DB03783
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 562.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phenacetin )
Drug Name Phenacetin
Indication
Analgesia
Withdrawn from market
Target(s)
Prostaglandin G/H synthase 1 (COX-1)
 Target Info 
Inhibitor
Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1)
 Target Info 
Inhibitor