General Information of the Compound
Compound ID
CP0377550
Compound Name
N-(5-methyl-2-propan-2-ylphenyl)-2-(4-phenylphenyl)acetamide
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Structure
Formula
C24H25NO
Molecular Weight
343.47
Canonical SMILES
CC(C)c1ccc(C)cc1NC(=O)Cc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C24H25NO/c1-17(2)22-14-9-18(3)15-23(22)25-24(26)16-19-10-12-21(13-11-19)20-7-5-4-6-8-20/h4-15,17H,16H2,1-3H3,(H,25,26)
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InChIKey
AZARWECNNYYDFC-UHFFFAOYSA-N
Physicochemical Property
logP
5.96662
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
29.1
Hydrogen Bond Donor Count
1
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: 70682696
ChEMBL ID
CHEMBL2087062
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 = 6500 nM
   TI
   LI
   LO
   TS
2
IC50 = 3900 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 = 31200 nM
   TI
   LI
   LO
   TS
2
IC50 = 78300 nM
   TI
   LI
   LO
   TS