General Information of the Compound
Compound ID
CP0130802
Compound Name
2-amino-4-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
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Structure
Formula
C17H17N3O2
Molecular Weight
295.342
Canonical SMILES
COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1
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InChI
InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-6-4-3-5-7-12)13-8-10-14(22-2)11-9-13/h3-11H,1-2H3,(H2,18,19)
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InChIKey
VJOYOUKJSHACSN-UHFFFAOYSA-N
Physicochemical Property
logP
1.7255
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
67.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 45488114
SID: 96032999
ChEMBL ID
CHEMBL577905
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3350 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3097.42 nM
2 IC50 = 3100 nM