General Information of the Compound
Compound ID
CP0563517
Compound Name
1-[3-[4-(dimethylamino)phenyl]phenyl]-1,3,3-trimethylurea
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Formula
C18H23N3O
Molecular Weight
297.402
Canonical SMILES
CN(C)C(=O)N(C)c1cccc(c1)-c1ccc(cc1)N(C)C
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InChI
InChI=1S/C18H23N3O/c1-19(2)16-11-9-14(10-12-16)15-7-6-8-17(13-15)21(5)18(22)20(3)4/h6-13H,1-5H3
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InChIKey
IQVFHXCCHXGDRF-UHFFFAOYSA-N
Physicochemical Property
logP
3.5374
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
26.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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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ChEMBL ID
CHEMBL4756816
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: PT04640, Patatin-like phospholipase domain-containing protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 70000 nM
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