General Information of the Compound
| Compound ID |
CP0567121
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| Compound Name |
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(2-methoxypyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C25H29N3O5
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| Molecular Weight |
451.523
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| Canonical SMILES |
COc1cc(ccn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
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| InChI |
InChI=1S/C25H29N3O5/c1-16-18(3-4-19-20(16)15-33-23(19)30)21(29)14-27-10-6-25(7-11-27)8-12-28(24(25)31)17-5-9-26-22(13-17)32-2/h3-5,9,13,21,29H,6-8,10-12,14-15H2,1-2H3/t21-/m0/s1
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| InChIKey |
NKEFKGGAZSWXRD-NRFANRHFSA-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