General Information of the Compound
| Compound ID |
CP0422251
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| Compound Name |
(4-cyclobutylpiperazin-1-yl)-[6-(oxan-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone
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| Structure |
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| Formula |
C21H35N3O2
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| Molecular Weight |
361.53
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| Canonical SMILES |
O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C21H35N3O2/c25-20(24-12-10-23(11-13-24)17-2-1-3-17)19-16-21(19)6-8-22(9-7-21)18-4-14-26-15-5-18/h17-19H,1-16H2
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| InChIKey |
VWXSSZKDKLMIKA-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