General Information of the Compound
Compound ID
CP0487374
Compound Name
6-chloro-N-[6-(2-ethylpyridin-3-yl)oxypyridin-3-yl]-5-methyl-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C22H21ClN4O2
Molecular Weight
408.889
Canonical SMILES
CCc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(C)c(Cl)cc23)cn1
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InChI
InChI=1S/C22H21ClN4O2/c1-3-18-20(5-4-9-24-18)29-21-7-6-16(13-25-21)26-22(28)27-10-8-15-11-14(2)17(23)12-19(15)27/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,26,28)
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InChIKey
QBUJZYLJDSBJKB-UHFFFAOYSA-N
Physicochemical Property
logP
5.38772
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
67.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 11742218
SID: 16848789
ChEMBL ID
CHEMBL55792
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 = 199.53 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 = 50.12 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 = 1.995 nM
   TI
   LI
   LO
   TS