General Information of the Compound
| Compound ID |
CP0098978
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| Compound Name |
1-adamantyl-(4-phenylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H28N2O/c24-20(21-13-16-10-17(14-21)12-18(11-16)15-21)23-8-6-22(7-9-23)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
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| InChIKey |
RVBAHCHQNBUSFJ-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