General Information of the Compound
Compound ID
CP0532954
Compound Name
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
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Structure
Formula
C23H15F8N3O6
Molecular Weight
581.372
Canonical SMILES
COc1cc(Oc2ccc(OC(F)(F)F)c(F)c2OC)c(C(=O)Nc2ccnc(c2)C(N)=O)c(F)c1C(F)(F)F
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InChI
InChI=1S/C23H15F8N3O6/c1-37-14-8-13(39-12-4-3-11(40-23(29,30)31)17(24)19(12)38-2)15(18(25)16(14)22(26,27)28)21(36)34-9-5-6-33-10(7-9)20(32)35/h3-8H,1-2H3,(H2,32,35)(H,33,34,36)
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InChIKey
OUXUOQPRJFFUNP-UHFFFAOYSA-N
Physicochemical Property
logP
5.4379
Rotatable Bonds
8
Heavy Atom Count
40
Polar Areas
122
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
40

"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: 154645112
ChEMBL ID
CHEMBL4798938
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 0.4 nM
   TI
   LI
   LO
   TS