General Information of the Compound
| Compound ID |
CP0402857
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| Compound Name |
8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(3-methyl-1,2-thiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C23H27N3O4S
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| Molecular Weight |
441.553
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| Canonical SMILES |
Cc1cc(sn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
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| InChI |
InChI=1S/C23H27N3O4S/c1-14-11-20(31-24-14)26-10-7-23(22(26)29)5-8-25(9-6-23)12-19(27)16-3-4-17-18(15(16)2)13-30-21(17)28/h3-4,11,19,27H,5-10,12-13H2,1-2H3/t19-/m0/s1
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| InChIKey |
AVNUHUISPNHKBL-IBGZPJMESA-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