General Information of the Compound
| Compound ID |
CP0407217
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| Compound Name |
8-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
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| Structure |
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| Formula |
C20H24N10O3
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| Molecular Weight |
452.479
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| Canonical SMILES |
Cn1nc(ccc1=O)N1CCC2(CCN(C[C@H](O)c3ccc(nn3)-n3cnnn3)CC2)C1=O
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| InChI |
InChI=1S/C20H24N10O3/c1-27-18(32)5-4-17(24-27)29-11-8-20(19(29)33)6-9-28(10-7-20)12-15(31)14-2-3-16(23-22-14)30-13-21-25-26-30/h2-5,13,15,31H,6-12H2,1H3/t15-/m0/s1
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| InChIKey |
SCVLLEPVQFEUNE-HNNXBMFYSA-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