General Information of the Compound
| Compound ID |
CP0438930
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| Compound Name |
4-(trifluoromethyl)phenyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C18H18F3N3O2
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| Molecular Weight |
365.355
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| Canonical SMILES |
FC(F)(F)c1ccc(OC(=O)N2CCN(Cc3ccccn3)CC2)cc1
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| InChI |
InChI=1S/C18H18F3N3O2/c19-18(20,21)14-4-6-16(7-5-14)26-17(25)24-11-9-23(10-12-24)13-15-3-1-2-8-22-15/h1-8H,9-13H2
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| InChIKey |
KXXXIKKXBFGUQQ-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1