General Information of the Compound
Compound ID
CP0103196
Compound Name
2'-methoxy-7'-(2-methylphenyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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Structure
Formula
C23H20N2O3
Molecular Weight
372.424
Canonical SMILES
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1C
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InChI
InChI=1S/C23H20N2O3/c1-14-5-3-4-6-17(14)15-7-9-20-18(11-15)23(13-27-22(24)25-23)19-12-16(26-2)8-10-21(19)28-20/h3-12H,13H2,1-2H3,(H2,24,25)
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InChIKey
OLAQBZBKMOPUOH-UHFFFAOYSA-N
Physicochemical Property
logP
4.36482
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
66.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 67247849
SID: 163474234
ChEMBL ID
CHEMBL2177321
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 = 4220 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7020 nM