General Information of the Compound
| Compound ID |
CP0398163
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| Compound Name |
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
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| Structure |
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| Formula |
C15H17F4N5
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| Molecular Weight |
343.328
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| Canonical SMILES |
Fc1ccc(cc1F)-n1cc(NCCN2CCC(F)(F)CC2)nn1
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| InChI |
InChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2
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| InChIKey |
YIWQRBWRMXHWFG-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