General Information of the Compound
| Compound ID |
CP0480146
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| Compound Name |
4-tert-butylphenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H24F3N3O2
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| Molecular Weight |
407.436
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| Canonical SMILES |
CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H24F3N3O2/c1-20(2,3)15-6-8-16(9-7-15)29-19(28)27-13-11-26(12-14-27)18-17(21(22,23)24)5-4-10-25-18/h4-10H,11-14H2,1-3H3
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| InChIKey |
IARQATBJLLWKHZ-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