General Information of the Compound
Compound ID
CP0383167
Compound Name
2-[5-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
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Structure
Formula
C20H19F2N3O3
Molecular Weight
387.386
Canonical SMILES
CC(Oc1nn(-c2ccccc2F)c2ccc(F)cc12)C(=O)N1CCOCC1
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InChI
InChI=1S/C20H19F2N3O3/c1-13(20(26)24-8-10-27-11-9-24)28-19-15-12-14(21)6-7-17(15)25(23-19)18-5-3-2-4-16(18)22/h2-7,12-13H,8-11H2,1H3
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InChIKey
VEUTYUARWSZCHF-UHFFFAOYSA-N
Physicochemical Property
logP
2.9298
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
56.59
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 127047644
ChEMBL ID
CHEMBL3798242
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: 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 = 110 nM
   TI
   LI
   LO
   TS
2
IC50 = 620 nM
   TI
   LI
   LO
   TS