General Information of the Compound
| Compound ID |
CP0473254
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| Compound Name |
[7-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H37N3O2
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| Molecular Weight |
363.546
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1
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| InChI |
InChI=1S/C21H37N3O2/c1-17(2)22-9-11-24(12-10-22)20(25)18-15-21(16-18)5-7-23(8-6-21)19-3-13-26-14-4-19/h17-19H,3-16H2,1-2H3
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| InChIKey |
LKVKSLVRHQVHAX-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