General Information of the Compound
Compound ID
CP0423645
Compound Name
5-methyl-N-(2-phenylethyl)-2-propan-2-ylbenzamide
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Structure
Formula
C19H23NO
Molecular Weight
281.399
Canonical SMILES
CC(C)c1ccc(C)cc1C(=O)NCCc1ccccc1
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InChI
InChI=1S/C19H23NO/c1-14(2)17-10-9-15(3)13-18(17)19(21)20-12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
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InChIKey
DWLZUEABXCINMW-UHFFFAOYSA-N
Physicochemical Property
logP
4.09092
Rotatable Bonds
5
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: 66561959
SID: 152192666
ChEMBL ID
CHEMBL2087057
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)  1
1
IC50 > 100000 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 = 270 nM
   TI
   LI
   LO
   TS
2
IC50 = 320 nM
   TI
   LI
   LO
   TS
3
IC50 = 600 nM
   TI
   LI
   LO
   TS