General Information of the Compound
Compound ID
CP0571857
Compound Name
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-3-one
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Structure
Formula
C23H26N2O6
Molecular Weight
426.469
Canonical SMILES
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)C2=CC(=O)OC2)CC1
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InChI
InChI=1S/C23H26N2O6/c1-14-16(2-3-17-18(14)12-31-22(17)29)19(26)10-24-6-4-23(5-7-24)9-20(27)25(13-23)15-8-21(28)30-11-15/h2-3,8,19,26H,4-7,9-13H2,1H3/t19-/m0/s1
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InChIKey
WJLWVTZSDBXNKW-IBGZPJMESA-N
Physicochemical Property
logP
1.45402
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
96.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 72950246
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: PT03667, ATP-sensitive inward rectifier potassium channel 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 45 nM
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Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 90000 nM
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   LI
   LO
   TS