General Information of the Compound
| Compound ID |
CP0546357
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| Compound Name |
5-[(1R)-1-hydroxy-2-[2-(6-methylsulfanylpyridin-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C25H31N3O3S
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| Molecular Weight |
453.608
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| Canonical SMILES |
CSc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2
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| InChI |
InChI=1S/C25H31N3O3S/c1-17-19(4-5-20-21(17)15-31-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(32-2)26-13-18/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1
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| InChIKey |
QHZORJNFWVSPCR-QFIPXVFZSA-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