General Information of the Compound
| Compound ID |
CP0455808
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| Compound Name |
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(1,2,5-thiadiazol-3-yl)-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C21H24N4O4S
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| Molecular Weight |
428.514
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cnsn2)CC1
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| InChI |
InChI=1S/C21H24N4O4S/c1-13-14(2-3-15-16(13)12-29-19(15)27)17(26)11-24-7-4-21(5-8-24)6-9-25(20(21)28)18-10-22-30-23-18/h2-3,10,17,26H,4-9,11-12H2,1H3/t17-/m0/s1
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| InChIKey |
HIQCMVRDBWRDJD-KRWDZBQOSA-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