General Information of the Compound
Compound ID
CP0496906
Compound Name
11-methyl-6,11-dihydro-5-thia-4,11-diaza-benzo[a]fluoren-8-ol
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Structure
Formula
C15H12N2OS
Molecular Weight
268.341
Canonical SMILES
Cn1c-2c(CSc3ncccc-23)c2cc(O)ccc12
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InChI
InChI=1S/C15H12N2OS/c1-17-13-5-4-9(18)7-11(13)12-8-19-15-10(14(12)17)3-2-6-16-15/h2-7,18H,8H2,1H3
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InChIKey
XWEUZBOIKJRKOJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5516
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44412034
ChEMBL ID
CHEMBL207106
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 = 52 nM
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