General Information of the Compound
| Compound ID |
CP0547952
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| Compound Name |
6-[9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpyridazin-3-one
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| Structure |
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| Formula |
C25H32N4O4
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| Molecular Weight |
452.555
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(=O)n(C)n1
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| InChI |
InChI=1S/C25H32N4O4/c1-17-18(3-4-19-20(17)16-33-24(19)32)21(30)15-28-11-7-25(8-12-28)9-13-29(14-10-25)22-5-6-23(31)27(2)26-22/h3-6,21,30H,7-16H2,1-2H3/t21-/m0/s1
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| InChIKey |
UBWGLLJSEKEDSU-NRFANRHFSA-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