General Information of the Compound
| Compound ID |
CP0410179
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| Compound Name |
5-[8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1
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| InChI |
InChI=1S/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-7-4-25(5-8-28)6-9-29(16-25)19-10-18(11-26)12-27-13-19/h2-3,10,12-13,23,30H,4-9,14-16H2,1H3/t23-/m0/s1
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| InChIKey |
OMUJSEKWXVIZOY-QHCPKHFHSA-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