General Information of the Compound
Compound ID
CP0420348
Compound Name
N-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]benzamide
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Structure
Formula
C24H17FN4O
Molecular Weight
396.425
Canonical SMILES
Fc1ccc(NC(=O)c2cccc(c2)-c2cnc([nH]2)-c2c[nH]c3ccccc23)cc1
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InChI
InChI=1S/C24H17FN4O/c25-17-8-10-18(11-9-17)28-24(30)16-5-3-4-15(12-16)22-14-27-23(29-22)20-13-26-21-7-2-1-6-19(20)21/h1-14,26H,(H,27,29)(H,28,30)
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InChIKey
SFQDRNVLKSMOHW-UHFFFAOYSA-N
Physicochemical Property
logP
5.6164
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
73.57
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 137655111
ChEMBL ID
CHEMBL4092083
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 = 1330 nM
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