General Information of the Compound
Compound ID
CP0421862
Compound Name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
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Structure
Formula
C19H17F3N2O3
Molecular Weight
378.35
Canonical SMILES
COc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
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InChI
InChI=1S/C19H17F3N2O3/c1-26-15-6-7-17-16(10-15)13(11-24-17)8-9-23-18(25)12-2-4-14(5-3-12)27-19(20,21)22/h2-7,10-11,24H,8-9H2,1H3,(H,23,25)
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InChIKey
SCXXRSCFHQBOGB-UHFFFAOYSA-N
Physicochemical Property
logP
4.0476
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
63.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44447632
ChEMBL ID
CHEMBL254673
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 = 1310 nM
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