General Information of the Compound
| Compound ID |
CP0464084
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| Compound Name |
8-[(2R)-2-hydroxy-2-[2-methyl-6-(tetrazol-1-yl)pyridin-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 |
C22H27N9O3
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| Molecular Weight |
465.518
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| Canonical SMILES |
Cc1nc(ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1)-n1cnnn1
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| InChI |
InChI=1S/C22H27N9O3/c1-15-16(3-4-18(24-15)31-14-23-26-27-31)17(32)13-29-10-7-22(8-11-29)9-12-30(21(22)34)19-5-6-20(33)28(2)25-19/h3-6,14,17,32H,7-13H2,1-2H3/t17-/m0/s1
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| InChIKey |
FXHDTKSOIDFQOT-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