General Information of the Compound
| Compound ID |
CP0565864
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| Compound Name |
2-(5-ethylsulfonylpyrazin-2-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-3-one
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| Structure |
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| Formula |
C25H30N4O6S
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| Molecular Weight |
514.604
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| Canonical SMILES |
CCS(=O)(=O)c1cnc(cn1)N1CC2(CC1=O)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2
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| InChI |
InChI=1S/C25H30N4O6S/c1-3-36(33,34)22-12-26-21(11-27-22)29-15-25(10-23(29)31)6-8-28(9-7-25)13-20(30)17-4-5-18-19(16(17)2)14-35-24(18)32/h4-5,11-12,20,30H,3,6-10,13-15H2,1-2H3/t20-/m0/s1
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| InChIKey |
RLZGQFWYJYQEBI-FQEVSTJZSA-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