General Information of the Compound
Compound ID
CP0490740
Compound Name
1-(4-aminophenylsulfonyl)-N-methyl-1H-indol-4-amine
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Structure
Formula
C15H15N3O2S
Molecular Weight
301.371
Canonical SMILES
CNc1cccc2n(ccc12)S(=O)(=O)c1ccc(N)cc1
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InChI
InChI=1S/C15H15N3O2S/c1-17-14-3-2-4-15-13(14)9-10-18(15)21(19,20)12-7-5-11(16)6-8-12/h2-10,17H,16H2,1H3
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InChIKey
HSPIDKMVFPAJCH-UHFFFAOYSA-N
Physicochemical Property
logP
2.5022
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
77.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 44405385
ChEMBL ID
CHEMBL381415
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 21 nM
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