General Information of the Compound
Compound ID
CP0362795
Compound Name
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one
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Structure
Formula
C19H15ClN4OS
Molecular Weight
382.876
Canonical SMILES
CN1C(N)=NC(C1=O)(c1nccs1)c1cccc(c1)-c1cccc(Cl)c1
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InChI
InChI=1S/C19H15ClN4OS/c1-24-17(25)19(23-18(24)21,16-22-8-9-26-16)14-6-2-4-12(10-14)13-5-3-7-15(20)11-13/h2-11H,1H3,(H2,21,23)
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InChIKey
FGZNPKRHPSRWAL-UHFFFAOYSA-N
Physicochemical Property
logP
3.4938
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
71.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 59387748
ChEMBL ID
CHEMBL2011999
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1200 nM