General Information of the Compound
Compound ID
CP0486029
Compound Name
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(4-phenoxyphenyl)carbamate
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Structure
Formula
C24H25ClN2O3
Molecular Weight
424.928
Canonical SMILES
CN(C)CCC(OC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
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InChI
InChI=1S/C24H25ClN2O3/c1-27(2)17-16-23(18-8-10-19(25)11-9-18)30-24(28)26-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)
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InChIKey
NBEAQJZBEVDDEU-UHFFFAOYSA-N
Physicochemical Property
logP
6.3738
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 11531958
SID: 16633999
ChEMBL ID
CHEMBL383326
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 = 190.55 nM
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