General Information of the Compound
Compound ID
CP0426927
Compound Name
N-[2-(N-(4-methoxyphenyl)anilino)ethyl]acetamide
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Synonyms
UCM 765
UCM-765
UCM765
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Structure
Formula
C17H20N2O2
Molecular Weight
284.359
Canonical SMILES
COc1ccc(cc1)N(CCNC(C)=O)c1ccccc1
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InChI
InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)
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InChIKey
PWTCGLHUMIIRML-UHFFFAOYSA-N
Physicochemical Property
logP
2.9694
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 24749950
SID: 49652124
ChEMBL ID
CHEMBL394676
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: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 776.25 nM
   TI
   LI
   LO
   TS
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 27.54 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( UCM 765 )
Drug Name UCM 765
Target(s)
Melatonin receptor type 1A (MTNR1A)
Agonist