General Information of the Compound
| Compound ID |
CP0400671
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| Compound Name |
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
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| Structure |
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| Formula |
C17H25N5
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| Molecular Weight |
299.422
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| Canonical SMILES |
C(CN1CCCCCC1)Nc1cn(Cc2ccccc2)nn1
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| InChI |
InChI=1S/C17H25N5/c1-2-7-12-21(11-6-1)13-10-18-17-15-22(20-19-17)14-16-8-4-3-5-9-16/h3-5,8-9,15,18H,1-2,6-7,10-14H2
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| InChIKey |
YDFJNSOAHPJDRH-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