General Information of the Compound
| Compound ID |
CP0566246
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| Compound Name |
(4-cyclobutylpiperazin-1-yl)-(7-methylsulfonyl-7-azaspiro[3.5]nonan-2-yl)methanone
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| Structure |
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| Formula |
C18H31N3O3S
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| Molecular Weight |
369.531
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| Canonical SMILES |
CS(=O)(=O)N1CCC2(CC(C2)C(=O)N2CCN(CC2)C2CCC2)CC1
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| InChI |
InChI=1S/C18H31N3O3S/c1-25(23,24)21-7-5-18(6-8-21)13-15(14-18)17(22)20-11-9-19(10-12-20)16-3-2-4-16/h15-16H,2-14H2,1H3
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| InChIKey |
LDGJAOJZZQIYNB-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