General Information of the Compound
| Compound ID |
CP0558799
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| Compound Name |
5-[(1R)-1-hydroxy-2-[2-(1,2-thiazol-5-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C2)c2ccns2)CC1
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| InChI |
InChI=1S/C21H25N3O3S/c1-14-15(2-3-16-17(14)11-27-20(16)26)18(25)10-23-8-5-21(6-9-23)12-24(13-21)19-4-7-22-28-19/h2-4,7,18,25H,5-6,8-13H2,1H3/t18-/m0/s1
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| InChIKey |
BTXAEQIAULLECJ-SFHVURJKSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2