General Information of the Compound
Compound ID
CP0383314
Compound Name
N-(4-methoxyphenyl)-5-methyl-2-propan-2-ylbenzamide
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Structure
Formula
C18H21NO2
Molecular Weight
283.371
Canonical SMILES
COc1ccc(NC(=O)c2cc(C)ccc2C(C)C)cc1
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InChI
InChI=1S/C18H21NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h5-12H,1-4H3,(H,19,20)
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InChIKey
MBOVOFKXQJOBFR-UHFFFAOYSA-N
Physicochemical Property
logP
4.37932
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 66561958
SID: 152192665
ChEMBL ID
CHEMBL2087056
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 = 12400 nM
   TI
   LI
   LO
   TS
2
IC50 = 60000 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)  3
1
EC50 = 1700 nM
   TI
   LI
   LO
   TS
2
IC50 = 2800 nM
   TI
   LI
   LO
   TS
3
IC50 = 3400 nM
   TI
   LI
   LO
   TS