General Information of the Compound
| Compound ID |
CP0523391
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| Compound Name |
N-(1-adamantyl)-2-[4-[2-(2,2-dimethylpropylsulfonylamino)ethyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C23H42N4O3S
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| Molecular Weight |
454.681
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| Canonical SMILES |
CC(C)(C)CS(=O)(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C23H42N4O3S/c1-22(2,3)17-31(29,30)24-4-5-26-6-8-27(9-7-26)16-21(28)25-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-20,24H,4-17H2,1-3H3,(H,25,28)
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| InChIKey |
FGTOHMZFSXHWMX-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