General Information of the Compound
Compound ID
CP0387833
Compound Name
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-propan-2-yloxy-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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Structure
Formula
C20H23F4N3O4S
Molecular Weight
477.48
Canonical SMILES
CC(C)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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InChI
InChI=1S/C20H23F4N3O4S/c1-11(2)31-19-14(6-8-17(26-19)20(22,23)24)10-25-18(28)12(3)13-5-7-16(15(21)9-13)27-32(4,29)30/h5-9,11-12,27H,10H2,1-4H3,(H,25,28)
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InChIKey
GIDVCOVZGHUJBD-UHFFFAOYSA-N
Physicochemical Property
logP
3.8181
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 16223802
SID: 24906277
ChEMBL ID
CHEMBL2385407
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)  2
1
IC50 = 93.4 nM
   TI
   LI
   LO
   TS
2
Ki = 2.1 nM
   TI
   LI
   LO
   TS