General Information of the Compound
Compound ID
CP0382402
Compound Name
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methoxybenzamide
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Structure
Formula
C19H23ClN2O2
Molecular Weight
346.858
Canonical SMILES
COc1ccc(cc1)C(=O)NC(CCN(C)C)c1ccc(Cl)cc1
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InChI
InChI=1S/C19H23ClN2O2/c1-22(2)13-12-18(14-4-8-16(20)9-5-14)21-19(23)15-6-10-17(24-3)11-7-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)
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InChIKey
OVAAWKPKVVAHKR-UHFFFAOYSA-N
Physicochemical Property
logP
3.7714
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11631605
SID: 16734770
ChEMBL ID
CHEMBL203531
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 = 1348.96 nM
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