General Information of the Compound
Compound ID
CP0120529
Compound Name
(2R)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
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Structure
Formula
C23H23N5O
Molecular Weight
385.471
Canonical SMILES
COc1c(C)cc(cc1C)[C@@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1
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InChI
InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m1/s1
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InChIKey
PZSMDBYYYKPYFV-HSZRJFAPSA-N
Physicochemical Property
logP
3.80184
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
85.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 49855683
SID: 104228697
ChEMBL ID
CHEMBL2180029
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
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1500 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 33000 nM
   TI
   LI
   LO
   TS