General Information of the Compound
Compound ID
CP0400810
Compound Name
4-(2,4-difluorophenoxy)-1H-indole
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Structure
Formula
C14H9F2NO
Molecular Weight
245.228
Canonical SMILES
Fc1ccc(Oc2cccc3[nH]ccc23)c(F)c1
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InChI
InChI=1S/C14H9F2NO/c15-9-4-5-14(11(16)8-9)18-13-3-1-2-12-10(13)6-7-17-12/h1-8,17H
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InChIKey
LKFOIEUPHQVDAK-UHFFFAOYSA-N
Physicochemical Property
logP
4.2384
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
25.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 90645317
ChEMBL ID
CHEMBL3298690
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 = 1100 nM
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