General Information of the Compound
Compound ID
CP0532955
Compound Name
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C23H15F8N3O6
Molecular Weight
581.372
Canonical SMILES
COc1c(Oc2cc(c(OC)c(F)c2C(=O)Nc2ccnc(c2)C(N)=O)C(F)(F)F)ccc(OC(F)(F)F)c1F
    Show/Hide
InChI
InChI=1S/C23H15F8N3O6/c1-37-18-10(22(26,27)28)8-14(39-13-4-3-12(40-23(29,30)31)16(24)19(13)38-2)15(17(18)25)21(36)34-9-5-6-33-11(7-9)20(32)35/h3-8H,1-2H3,(H2,32,35)(H,33,34,36)
    Show/Hide
InChIKey
APHKKFMONQEXNB-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 154645315
ChEMBL ID
CHEMBL4787299
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 = 1.6 nM
   TI
   LI
   LO
   TS