General Information of the Compound
Compound ID
CP0315957
Compound Name
2'-amino-2,2,3'-trimethyl-6-pyridin-2-ylspiro[3H-chromene-4,5'-imidazole]-4'-one
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Structure
Formula
C19H20N4O2
Molecular Weight
336.395
Canonical SMILES
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccn2)C1=O
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InChI
InChI=1S/C19H20N4O2/c1-18(2)11-19(16(24)23(3)17(20)22-19)13-10-12(7-8-15(13)25-18)14-6-4-5-9-21-14/h4-10H,11H2,1-3H3,(H2,20,22)
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InChIKey
DCRSZXJBBQEETJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2917
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
80.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71624345
ChEMBL ID
CHEMBL2349502
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2363 nM
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