General Information of the Compound
Compound ID
CP0510808
Compound Name
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-(1,2-thiazol-5-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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Structure
Formula
C21H23N3O5S
Molecular Weight
429.498
Canonical SMILES
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)O2)c2ccns2)CC1
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InChI
InChI=1S/C21H23N3O5S/c1-13-14(2-3-15-16(13)11-28-19(15)26)17(25)10-23-8-5-21(6-9-23)12-24(20(27)29-21)18-4-7-22-30-18/h2-4,7,17,25H,5-6,8-12H2,1H3/t17-/m0/s1
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InChIKey
AXGWMCUXLYZWRM-KRWDZBQOSA-N
Physicochemical Property
logP
2.64672
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
92.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 137635237
ChEMBL ID
CHEMBL4061345
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5100 nM
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   LI
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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 = 12000 nM
   TI
   LI
   LO
   TS