General Information of the Compound
| Compound ID |
CP0287736
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| Compound Name |
1-adamantyl-[4-(2-phenylethyl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H32N2O
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| Molecular Weight |
352.522
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| Canonical SMILES |
O=C(N1CCN(CCc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C23H32N2O/c26-22(23-15-19-12-20(16-23)14-21(13-19)17-23)25-10-8-24(9-11-25)7-6-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2
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| InChIKey |
VSFYVNDRAWTPAR-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