General Information of the Compound
Compound ID
CP0170288
Compound Name
2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one
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Structure
Formula
C19H17Cl2N3O
Molecular Weight
374.271
Canonical SMILES
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23)
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InChIKey
JOMOYZHFIMBZBT-UHFFFAOYSA-N
Physicochemical Property
logP
4.0524
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
58.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 59262464
ChEMBL ID
CHEMBL2012000
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 = 2400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 30 nM