General Information of the Compound
Compound ID
CP0573218
Compound Name
2-(7-fluoro-6-methyl-1H-indol-3-yl)quinoline
    Show/Hide
Structure
Formula
C18H13FN2
Molecular Weight
276.314
Canonical SMILES
Cc1ccc2c(c[nH]c2c1F)-c1ccc2ccccc2n1
    Show/Hide
InChI
InChI=1S/C18H13FN2/c1-11-6-8-13-14(10-20-18(13)17(11)19)16-9-7-12-4-2-3-5-15(12)21-16/h2-10,20H,1H3
    Show/Hide
InChIKey
BSOHGDSETRFFKP-UHFFFAOYSA-N
Physicochemical Property
logP
4.83062
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118449828
ChEMBL ID
CHEMBL4846981
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 2170 nM
   TI
   LI
   LO
   TS