General Information of the Compound
| Compound ID |
CP0060300
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| Compound Name |
2-adamantan-1-yl-1-(4-ethyl-piperazin-1-yl)-ethanone
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| Structure |
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| Formula |
C18H30N2O
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| Molecular Weight |
290.451
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H30N2O/c1-2-19-3-5-20(6-4-19)17(21)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,2-13H2,1H3
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| InChIKey |
MPSXHUCWQVICKL-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