General Information of the Compound
| Compound ID |
CP0458806
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| Compound Name |
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[7-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-yl]methanone
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| Structure |
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| Formula |
C22H37N3O2
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| Molecular Weight |
375.557
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| Canonical SMILES |
O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCN2CCCCC2C1
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| InChI |
InChI=1S/C22H37N3O2/c26-21(25-12-11-23-8-2-1-3-20(23)17-25)18-15-22(16-18)6-9-24(10-7-22)19-4-13-27-14-5-19/h18-20H,1-17H2
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| InChIKey |
YEOCIYXDPIDOQT-UHFFFAOYSA-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2