General Information of the Compound
Compound ID
CP0503153
Compound Name
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide
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Structure
Formula
C20H26N2O
Molecular Weight
310.441
Canonical SMILES
CN(C)CCC(NC(=O)Cc1ccccc1)c1ccc(C)cc1
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InChI
InChI=1S/C20H26N2O/c1-16-9-11-18(12-10-16)19(13-14-22(2)3)21-20(23)15-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3,(H,21,23)
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InChIKey
BKGFNCFZXJSIHU-UHFFFAOYSA-N
Physicochemical Property
logP
3.34672
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 15983562
SID: 24775300
ChEMBL ID
CHEMBL228472
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 4168.69 nM
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