General Information of the Compound
Compound ID
CP0398799
Compound Name
2-[5-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylethanone
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Structure
Formula
C19H17F2N3O3
Molecular Weight
373.359
Canonical SMILES
Fc1ccc2n(nc(OCC(=O)N3CCOCC3)c2c1)-c1ccccc1F
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InChI
InChI=1S/C19H17F2N3O3/c20-13-5-6-16-14(11-13)19(22-24(16)17-4-2-1-3-15(17)21)27-12-18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
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InChIKey
FFXBKKBNWGBOAE-UHFFFAOYSA-N
Physicochemical Property
logP
2.5413
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
56.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 127047643
ChEMBL ID
CHEMBL3798493
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  2
1
IC50 = 760 nM
   TI
   LI
   LO
   TS
2
IC50 = 1400 nM
   TI
   LI
   LO
   TS