General Information of the Compound
Compound ID
CP0403363
Compound Name
6-fluoro-3-[5-[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-2-yl]-1H-indole
    Show/Hide
Structure
Formula
C26H17F2N5
Molecular Weight
437.453
Canonical SMILES
Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12
    Show/Hide
InChI
InChI=1S/C26H17F2N5/c27-18-6-4-15(5-7-18)23-13-30-25(32-23)17-3-1-2-16(10-17)24-14-31-26(33-24)21-12-29-22-11-19(28)8-9-20(21)22/h1-14,29H,(H,30,32)(H,31,33)
    Show/Hide
InChIKey
BITOXBRSWUNVGQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.5603
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
73.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
33

"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: 137662155
ChEMBL ID
CHEMBL4100768
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: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
EC50 = 810 nM
   TI
   LI
   LO
   TS