General Information of the Compound
Compound ID
CP0521684
Compound Name
N-[(6-tert-butyl-2-cyclohexylpyridin-3-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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Structure
Formula
C26H36FN3O3S
Molecular Weight
489.657
Canonical SMILES
CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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InChI
InChI=1S/C26H36FN3O3S/c1-17(19-11-13-22(21(27)15-19)30-34(5,32)33)25(31)28-16-20-12-14-23(26(2,3)4)29-24(20)18-9-7-6-8-10-18/h11-15,17-18,30H,6-10,16H2,1-5H3,(H,28,31)
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InChIKey
JTUNMXWCLFBXOB-UHFFFAOYSA-N
Physicochemical Property
logP
5.3573
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 137656714
ChEMBL ID
CHEMBL4102515
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 3.1 nM
   TI
   LI
   LO
   TS