General Information of the Compound
| Compound ID |
CP0400687
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| Compound Name |
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
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| Structure |
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| Formula |
C18H26FN5
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| Molecular Weight |
331.439
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| Canonical SMILES |
C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1
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| InChI |
InChI=1S/C18H26FN5/c1-14-4-3-5-15(2)24(14)11-10-20-18-13-23(22-21-18)12-16-6-8-17(19)9-7-16/h6-9,13-15,20H,3-5,10-12H2,1-2H3/t14-,15+
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| InChIKey |
NRWZPGMUYWHBKY-GASCZTMLSA-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