General Information of the Compound
Compound ID
CP0103459
Compound Name
1,3-bis(3-phenylphenyl)urea
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Structure
Formula
C25H20N2O
Molecular Weight
364.448
Canonical SMILES
O=C(Nc1cccc(c1)-c1ccccc1)Nc1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C25H20N2O/c28-25(26-23-15-7-13-21(17-23)19-9-3-1-4-10-19)27-24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H,(H2,26,27,28)
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InChIKey
HLLYKFRFUCJBRJ-UHFFFAOYSA-N
Physicochemical Property
logP
6.6646
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
28

"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: 145968661
ChEMBL ID
CHEMBL4228446
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: PT04537, Monoglyceride lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000038 B16-F10 Mus musculus (Mouse)  1
1
EC50 = 5760 nM
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