General Information of the Compound
| Compound ID |
CP0474599
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| Compound Name |
4-(trifluoromethyl)phenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C18H15F6N3O2
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| Molecular Weight |
419.325
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| Canonical SMILES |
FC(F)(F)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C18H15F6N3O2/c19-17(20,21)12-3-5-13(6-4-12)29-16(28)27-10-8-26(9-11-27)15-14(18(22,23)24)2-1-7-25-15/h1-7H,8-11H2
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| InChIKey |
DPZKEIWOADCWJT-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