General Information of the Compound
Compound ID
CP0561988
Compound Name
8-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
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Structure
Formula
C19H16N2
Molecular Weight
272.351
Canonical SMILES
Cc1cccc2c(c[nH]c12)-c1ccc2cccc(C)c2n1
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InChI
InChI=1S/C19H16N2/c1-12-5-3-7-14-9-10-17(21-18(12)14)16-11-20-19-13(2)6-4-8-15(16)19/h3-11,20H,1-2H3
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InChIKey
OLGFOAWFZHREEW-UHFFFAOYSA-N
Physicochemical Property
logP
4.99994
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).

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PubChem ID
CID: 18729728
ChEMBL ID
CHEMBL4869391
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 = 180 nM
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