General Information of the Compound
Compound ID
CP0297102
Compound Name
5-Chloro-1-(4-fluoro-phenyl)-3-isopropyl-1H-indole
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Structure
Formula
C17H15ClFN
Molecular Weight
287.765
Canonical SMILES
CC(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
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InChI
InChI=1S/C17H15ClFN/c1-11(2)16-10-20(14-6-4-13(19)5-7-14)17-8-3-12(18)9-15(16)17/h3-11H,1-2H3
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InChIKey
HYDPSWCXRCQOAC-UHFFFAOYSA-N
Physicochemical Property
logP
5.5464
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
4.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 44297148
ChEMBL ID
CHEMBL53089
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10000 nM