General Information of the Compound
Compound ID
CP0481359
Compound Name
6-bromo-9-(3,4-difluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
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Structure
Formula
C20H19BrF2N2O2S
Molecular Weight
469.351
Canonical SMILES
CN(C)C1CCc2c(C1)c1cc(Br)ccc1n2S(=O)(=O)c1ccc(F)c(F)c1
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InChI
InChI=1S/C20H19BrF2N2O2S/c1-24(2)13-4-8-20-16(10-13)15-9-12(21)3-7-19(15)25(20)28(26,27)14-5-6-17(22)18(23)11-14/h3,5-7,9,11,13H,4,8,10H2,1-2H3
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InChIKey
JODBXTNODWFPKS-UHFFFAOYSA-N
Physicochemical Property
logP
4.3379
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
42.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 71462331
SID: 163446503
ChEMBL ID
CHEMBL2165565
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 = 29.01 nM
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