General Information of the Compound
Compound ID
CP0436327
Compound Name
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
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Structure
Formula
C18H14ClF3N2O2
Molecular Weight
382.769
Canonical SMILES
FC(F)(F)Oc1ccc(cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
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InChI
InChI=1S/C18H14ClF3N2O2/c19-13-3-6-16-15(9-13)12(10-24-16)7-8-23-17(25)11-1-4-14(5-2-11)26-18(20,21)22/h1-6,9-10,24H,7-8H2,(H,23,25)
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InChIKey
WYBZVIYSYASMKP-UHFFFAOYSA-N
Physicochemical Property
logP
4.6924
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
54.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 44447635
ChEMBL ID
CHEMBL251781
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3720 nM
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