General Information of the Compound
Compound ID
CP0418457
Compound Name
2,3-Dihydro-indole-1-carboxylic acid pyridin-3-ylamide
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Synonyms
1-(3-pyridylcarbamoyl) indoline
2,3-Dihydro-indole-1-carboxylic acid pyridin-3-ylamide
AKOS001223824
BDBM50321878
CHEMBL42327
MolPort-003-287-500
N-(3-Pyridinyl)-2,3-dihydro-1H-indole-1-carboxamide
N-(pyridin-3-yl)indoline-1-carboxamide
SCHEMBL9035888
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Structure
Formula
C14H13N3O
Molecular Weight
239.278
Canonical SMILES
O=C(Nc1cccnc1)N1CCc2ccccc12
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InChI
InChI=1S/C14H13N3O/c18-14(16-12-5-3-8-15-10-12)17-9-7-11-4-1-2-6-13(11)17/h1-6,8,10H,7,9H2,(H,16,18)
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InChIKey
ODXHNGJYIWHPAG-UHFFFAOYSA-N
Physicochemical Property
logP
2.6762
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 10823903
SID: 15864620
ChEMBL ID
CHEMBL42327
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 > 10000 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)  2
1
Ki = 1258.93 nM
   TI
   LI
   LO
   TS
2
Ki = 1259 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(pyridin-3-yl)indoline-1-carboxamide )
Drug Name N-(pyridin-3-yl)indoline-1-carboxamide
Target(s)
5-HT 2C receptor (HTR2C)
Inhibitor