General Information of the Compound
Compound ID
CP0412509
Compound Name
2-(3-iodophenyl)-N-(5-methyl-2-propan-2-ylphenyl)acetamide
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Structure
Formula
C18H20INO
Molecular Weight
393.268
Canonical SMILES
CC(C)c1ccc(C)cc1NC(=O)Cc1cccc(I)c1
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InChI
InChI=1S/C18H20INO/c1-12(2)16-8-7-13(3)9-17(16)20-18(21)11-14-5-4-6-15(19)10-14/h4-10,12H,11H2,1-3H3,(H,20,21)
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InChIKey
NKWTYBZULRBRMJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.90422
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 70691106
ChEMBL ID
CHEMBL2087063
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 = 20500 nM
   TI
   LI
   LO
   TS
2
IC50 = 43200 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 = 11600 nM
   TI
   LI
   LO
   TS
2
IC50 = 14100 nM
   TI
   LI
   LO
   TS