General Information of the Compound
| Compound ID |
CP0422084
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| Compound Name |
(4-cyclobutylpiperazin-1-yl)-(7-phenyl-7-azaspiro[3.5]nonan-2-yl)methanone
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| Structure |
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| Formula |
C23H33N3O
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| Molecular Weight |
367.537
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| Canonical SMILES |
O=C(C1CC2(C1)CCN(CC2)c1ccccc1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C23H33N3O/c27-22(26-15-13-25(14-16-26)21-7-4-8-21)19-17-23(18-19)9-11-24(12-10-23)20-5-2-1-3-6-20/h1-3,5-6,19,21H,4,7-18H2
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| InChIKey |
XYZBZWHSHNAJBO-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