General Information of the Compound
Compound ID
CP0382484
Compound Name
1-benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
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Structure
Formula
C19H24ClN3O
Molecular Weight
345.874
Canonical SMILES
CN(C)CCC(NC(=O)NCc1ccccc1)c1ccc(Cl)cc1
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InChI
InChI=1S/C19H24ClN3O/c1-23(2)13-12-18(16-8-10-17(20)11-9-16)22-19(24)21-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H2,21,22,24)
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InChIKey
GWUNVBOCLNYZGJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8322
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
44.37
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 11573773
SID: 16676118
ChEMBL ID
CHEMBL382477
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 = 1995.26 nM
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