General Information of the Compound
| Compound ID |
CP0381942
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| Compound Name |
1-(1-adamantyl)-N-ethyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
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| Structure |
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| Formula |
C20H33N5O
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| Molecular Weight |
359.518
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| Canonical SMILES |
CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H33N5O/c1-2-24(4-3-23-5-7-26-8-6-23)19-15-25(22-21-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,2-14H2,1H3
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| InChIKey |
YWUCYDLHHYYQRZ-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1