General Information of the Compound
Compound ID
CP0464737
Compound Name
5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C15H15N3OS
Molecular Weight
285.372
Canonical SMILES
CSc1ccc2N(CCc2c1)C(=O)Nc1cccnc1
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InChI
InChI=1S/C15H15N3OS/c1-20-13-4-5-14-11(9-13)6-8-18(14)15(19)17-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
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InChIKey
IRRJKRJNCNEHIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.3981
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 10803066
SID: 15842727
ChEMBL ID
CHEMBL38027
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 = 39.81 nM
   TI
   LI
   LO
   TS