General Information of the Compound
Compound ID
CP0395285
Compound Name
N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methanesulfonamide
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Structure
Formula
C23H21NO2S
Molecular Weight
375.493
Canonical SMILES
CS(=O)(=O)Nc1ccccc1C=C1c2ccccc2CCc2ccccc12
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InChI
InChI=1S/C23H21NO2S/c1-27(25,26)24-23-13-7-4-10-19(23)16-22-20-11-5-2-8-17(20)14-15-18-9-3-6-12-21(18)22/h2-13,16,24H,14-15H2,1H3
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InChIKey
UBBQAQASCRSODZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7456
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: 76328818
ChEMBL ID
CHEMBL3120322
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