General Information of the Compound
Compound ID
CP0497777
Compound Name
6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C20H16ClN3O
Molecular Weight
349.821
Canonical SMILES
Clc1cc2N(CCc2cc1-c1ccccc1)C(=O)Nc1cccnc1
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InChI
InChI=1S/C20H16ClN3O/c21-18-12-19-15(11-17(18)14-5-2-1-3-6-14)8-10-24(19)20(25)23-16-7-4-9-22-13-16/h1-7,9,11-13H,8,10H2,(H,23,25)
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InChIKey
GWVLAKFPEOAVDR-UHFFFAOYSA-N
Physicochemical Property
logP
4.9966
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 10569827
SID: 15597835
ChEMBL ID
CHEMBL40579
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 = 3981.07 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 = 125.89 nM
   TI
   LI
   LO
   TS