General Information of the Compound
Compound ID
CP0421496
Compound Name
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)benzenesulfonamide
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Structure
Formula
C23H21NO2S
Molecular Weight
375.493
Canonical SMILES
CNS(=O)(=O)c1cccc(C=C2c3ccccc3CCc3ccccc23)c1
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InChI
InChI=1S/C23H21NO2S/c1-24-27(25,26)20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3
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InChIKey
MHUHPOWTAWMWOK-UHFFFAOYSA-N
Physicochemical Property
logP
4.2822
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 57736637
ChEMBL ID
CHEMBL3120315
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 100 nM
   TI
   LI
   LO
   TS