General Information of the Compound
| Compound ID |
CP0472330
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| Compound Name |
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
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| Structure |
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| Formula |
C16H19F4N5
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| Molecular Weight |
357.355
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| Canonical SMILES |
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F
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| InChI |
InChI=1S/C16H19F4N5/c17-13-2-1-12(9-14(13)18)10-25-11-15(22-23-25)21-5-8-24-6-3-16(19,20)4-7-24/h1-2,9,11,21H,3-8,10H2
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| InChIKey |
HQMAGSAVQJZZDZ-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