General Information of the Compound
Compound ID
CP0412512
Compound Name
1-(5-methyl-2-propan-2-ylphenyl)-3-(4-phenylphenyl)urea
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Structure
Formula
C23H24N2O
Molecular Weight
344.458
Canonical SMILES
CC(C)c1ccc(C)cc1NC(=O)Nc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C23H24N2O/c1-16(2)21-14-9-17(3)15-22(21)25-23(26)24-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H2,24,25,26)
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InChIKey
ZQLWJUGZXBQKRM-UHFFFAOYSA-N
Physicochemical Property
logP
6.42942
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
26

"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: 66561961
SID: 152192668
ChEMBL ID
CHEMBL2087073
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 32200 nM
   TI
   LI
   LO
   TS
2
IC50 = 27900 nM
   TI
   LI
   LO
   TS
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 25400 nM
   TI
   LI
   LO
   TS
2
IC50 = 37400 nM
   TI
   LI
   LO
   TS