General Information of the Compound
Compound ID
CP0166457
Compound Name
2-Imino-5,5-diphenyl-imidazolidin-4-one
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Structure
Formula
C15H13N3O
Molecular Weight
251.289
Canonical SMILES
NC1=NC(C(=O)N1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C15H13N3O/c16-14-17-13(19)15(18-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19)
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InChIKey
KMAGLUVYQQBXIR-UHFFFAOYSA-N
CAS
26975-70-2
Physicochemical Property
logP
1.3747
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
67.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 213731
SID: 96032894
ChEMBL ID
CHEMBL56002
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 = 23500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19998.62 nM