General Information of the Compound
| Compound ID |
CP0517705
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| Compound Name |
tert-butyl N-[2-[4-[2-(1-adamantylamino)-2-oxoethyl]piperazin-1-yl]ethyl]carbamate
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| Structure |
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| Formula |
C23H40N4O3
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| Molecular Weight |
420.598
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)24-4-5-26-6-8-27(9-7-26)16-20(28)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,24,29)(H,25,28)
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| InChIKey |
KUQQBQLDCWDXLR-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