General Information of the Compound
| Compound ID |
CP0469125
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| Compound Name |
(4-cyclopentylpiperazin-1-yl)-[6-(oxan-4-yl)-6-azaspiro[2.5]octan-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(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C22H37N3O2/c26-21(25-13-11-24(12-14-25)18-3-1-2-4-18)20-17-22(20)7-9-23(10-8-22)19-5-15-27-16-6-19/h18-20H,1-17H2
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| InChIKey |
ALQZUQZQVVJRCB-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