General Information of the Compound
Compound ID
CP0152920
Compound Name
(5R)-2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
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Structure
Formula
C23H21N3O2
Molecular Weight
371.44
Canonical SMILES
COc1cccc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccccc1
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InChI
InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1
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InChIKey
LRYKHTDVFXMHEH-HSZRJFAPSA-N
Physicochemical Property
logP
3.3925
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
67.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 70681036
ChEMBL ID
CHEMBL2011981
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 80 nM