General Information of the Compound
Compound ID
CP0550890
Compound Name
4-(3-methoxycarbazol-9-yl)sulfonylaniline
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Structure
Formula
C19H16N2O3S
Molecular Weight
352.415
Canonical SMILES
COc1ccc2n(c3ccccc3c2c1)S(=O)(=O)c1ccc(N)cc1
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InChI
InChI=1S/C19H16N2O3S/c1-24-14-8-11-19-17(12-14)16-4-2-3-5-18(16)21(19)25(22,23)15-9-6-13(20)7-10-15/h2-12H,20H2,1H3
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InChIKey
HVTUNBOABHJAIF-UHFFFAOYSA-N
Physicochemical Property
logP
3.6223
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
74.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44386772
ChEMBL ID
CHEMBL1189868
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
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 29 nM
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