General Information of the Compound
| Compound ID |
CP0417640
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| Compound Name |
N-(1-adamantyl)-2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C22H38N4O2
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| Molecular Weight |
390.572
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| Canonical SMILES |
CC(C)(C)NC(=O)CN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C22H38N4O2/c1-21(2,3)23-19(27)14-25-4-6-26(7-5-25)15-20(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-18H,4-15H2,1-3H3,(H,23,27)(H,24,28)
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| InChIKey |
WVVVXTOSGJMBDO-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