General Information of the Compound
| Compound ID |
CP0422089
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| Compound Name |
(4-methylpiperazin-1-yl)-[6-(oxan-4-yl)-6-azaspiro[2.5]octan-2-yl]methanone
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| Structure |
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| Formula |
C18H31N3O2
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| Molecular Weight |
321.465
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| Canonical SMILES |
CN1CCN(CC1)C(=O)C1CC11CCN(CC1)C1CCOCC1
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| InChI |
InChI=1S/C18H31N3O2/c1-19-8-10-21(11-9-19)17(22)16-14-18(16)4-6-20(7-5-18)15-2-12-23-13-3-15/h15-16H,2-14H2,1H3
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| InChIKey |
ZBLAOOSANUIXDB-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