General Information of the Compound
Compound ID
CP0377546
Compound Name
N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
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Structure
Formula
C21H27NO
Molecular Weight
309.453
Canonical SMILES
CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(C)(C)C
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InChI
InChI=1S/C21H27NO/c1-14(2)18-12-7-15(3)13-19(18)20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23)
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InChIKey
YNRVLEWFYBKYND-UHFFFAOYSA-N
Physicochemical Property
logP
5.66822
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 70682694
ChEMBL ID
CHEMBL2087052
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 = 600 nM
   TI
   LI
   LO
   TS
2
IC50 = 840 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 = 600 nM
   TI
   LI
   LO
   TS
2
IC50 = 1200 nM
   TI
   LI
   LO
   TS
3
IC50 = 1900 nM
   TI
   LI
   LO
   TS