General Information of the Compound
Compound ID
CP0496907
Compound Name
2-fluoro-11-methyl-6,11-dihydrothiochromeno[4,3-b]indol-8-ol
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Structure
Formula
C16H12FNOS
Molecular Weight
285.343
Canonical SMILES
Cn1c-2c(CSc3ccc(F)cc-23)c2cc(O)ccc12
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InChI
InChI=1S/C16H12FNOS/c1-18-14-4-3-10(19)7-11(14)13-8-20-15-5-2-9(17)6-12(15)16(13)18/h2-7,19H,8H2,1H3
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InChIKey
UPNLQWQBSFZALJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2957
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
25.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 44411766
ChEMBL ID
CHEMBL382892
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 = 110 nM
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