General Information of the Compound
| Compound ID |
CP0391825
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| Compound Name |
N-(1-adamantyl)-2-[4-[3-(tert-butylcarbamoylamino)propyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C24H43N5O2
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| Molecular Weight |
433.641
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| Canonical SMILES |
CC(C)(C)NC(=O)NCCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C24H43N5O2/c1-23(2,3)27-22(31)25-5-4-6-28-7-9-29(10-8-28)17-21(30)26-24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,4-17H2,1-3H3,(H,26,30)(H2,25,27,31)
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| InChIKey |
CLNSWSFDXSOPDM-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