General Information of the Compound
Compound ID
CP0436323
Compound Name
N-[2-(5-methoxy-1H-indol-3-yl)propyl]-4-(trifluoromethoxy)benzamide
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Structure
Formula
C20H19F3N2O3
Molecular Weight
392.377
Canonical SMILES
COc1ccc2[nH]cc(C(C)CNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
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InChI
InChI=1S/C20H19F3N2O3/c1-12(17-11-24-18-8-7-15(27-2)9-16(17)18)10-25-19(26)13-3-5-14(6-4-13)28-20(21,22)23/h3-9,11-12,24H,10H2,1-2H3,(H,25,26)
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InChIKey
LCMYACCBBHBOEB-UHFFFAOYSA-N
Physicochemical Property
logP
4.6086
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
63.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44447667
ChEMBL ID
CHEMBL252583
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)  2
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
2
Kd = 144.54 nM
   TI
   LI
   LO
   TS