General Information of the Compound
Compound ID
CP0205226
Compound Name
6-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
    Show/Hide
Structure
Formula
C15H13FN2OS
Molecular Weight
288.347
Canonical SMILES
CN(Cc1cccs1)C(=O)c1cc2ccc(F)cc2[nH]1
    Show/Hide
InChI
InChI=1S/C15H13FN2OS/c1-18(9-12-3-2-6-20-12)15(19)14-7-10-4-5-11(16)8-13(10)17-14/h2-8,17H,9H2,1H3
    Show/Hide
InChIKey
GWAUCANDJHHLRH-UHFFFAOYSA-N
Physicochemical Property
logP
3.6407
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
36.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118708594
ChEMBL ID
CHEMBL3318060
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)  2
1
IC50 = 3380 nM
   TI
   LI
   LO
   TS
2
IC50 = 5450 nM
   TI
   LI
   LO
   TS