General Information of the Compound
| Compound ID |
CP0458009
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| Compound Name |
1-adamantyl-(4-benzylsulfonylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H30N2O3S
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| Molecular Weight |
402.56
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| Canonical SMILES |
O=C(N1CCN(CC1)S(=O)(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H30N2O3S/c25-21(22-13-18-10-19(14-22)12-20(11-18)15-22)23-6-8-24(9-7-23)28(26,27)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2
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| InChIKey |
ZIYQYRNEJLMDBH-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