General Information of the Compound
| Compound ID |
CP0417642
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| Compound Name |
N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C22H40N4O
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| Molecular Weight |
376.589
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| Canonical SMILES |
CC(C)(C)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C22H40N4O/c1-21(2,3)23-4-5-25-6-8-26(9-7-25)16-20(27)24-22-13-17-10-18(14-22)12-19(11-17)15-22/h17-19,23H,4-16H2,1-3H3,(H,24,27)
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| InChIKey |
TZRXNYBOOXBGNU-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