General Information of the Compound
Compound ID
CP0480551
Compound Name
N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-4-(trifluoromethyl)-1,2,7,8-tetrahydrofuro[3,2-e]indole-6-carboxamide
    Show/Hide
Structure
Formula
C23H19F3N4O3
Molecular Weight
456.424
Canonical SMILES
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c4CCOc4c(cc23)C(F)(F)F)cn1
    Show/Hide
InChI
InChI=1S/C23H19F3N4O3/c1-13-19(3-2-8-27-13)33-20-5-4-14(12-28-20)29-22(31)30-9-6-15-16-7-10-32-21(16)17(11-18(15)30)23(24,25)26/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,29,31)
    Show/Hide
InChIKey
HVFIZGFUTYQRCG-UHFFFAOYSA-N
Physicochemical Property
logP
5.12562
Rotatable Bonds
3
Heavy Atom Count
33
Polar Areas
76.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44298225
ChEMBL ID
CHEMBL55292
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 501.19 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 63.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.259 nM
   TI
   LI
   LO
   TS