General Information of the Compound
Compound ID
CP0379043
Compound Name
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methylbenzamide
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Structure
Formula
C25H26N2O2
Molecular Weight
386.495
Canonical SMILES
Cc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1
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InChI
InChI=1S/C25H26N2O2/c1-17-7-5-8-19(15-17)24(29)27-22-10-6-9-21(16-22)26-23(28)18-11-13-20(14-12-18)25(2,3)4/h5-16H,1-4H3,(H,26,28)(H,27,29)
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InChIKey
CPVWLQBQDHUDMB-UHFFFAOYSA-N
Physicochemical Property
logP
5.79712
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 1085239
ChEMBL ID
CHEMBL3181946
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: PT06019, Potassium channel subfamily K member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
Protein ID: PT05440, Potassium channel subfamily K member 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS