General Information of the Compound
Compound ID
CP0488669
Compound Name
6-(benzenesulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
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Structure
Formula
C18H18N2O2S
Molecular Weight
326.421
Canonical SMILES
NC1CCc2[nH]c3ccc(cc3c2C1)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C18H18N2O2S/c19-12-6-8-17-15(10-12)16-11-14(7-9-18(16)20-17)23(21,22)13-4-2-1-3-5-13/h1-5,7,9,11-12,20H,6,8,10,19H2
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InChIKey
GGGUCGXTROTHDZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8167
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
75.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 9945214
SID: 14919652
ChEMBL ID
CHEMBL2165521
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
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 58 nM
   TI
   LI
   LO
   TS