General Information of the Compound
Compound ID
CP0528148
Compound Name
3-methoxy-11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-8-ol
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Structure
Formula
C17H15NO2S
Molecular Weight
297.379
Canonical SMILES
COc1ccc2-c3c(CSc2c1)c1cc(O)ccc1n3C
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InChI
InChI=1S/C17H15NO2S/c1-18-15-6-3-10(19)7-13(15)14-9-21-16-8-11(20-2)4-5-12(16)17(14)18/h3-8,19H,9H2,1-2H3
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InChIKey
GQXGANPOBPDRHE-UHFFFAOYSA-N
Physicochemical Property
logP
4.1652
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
34.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 44411899
ChEMBL ID
CHEMBL207339
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: PT01486, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 3000 nM
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