General Information of the Compound
| Compound ID |
CP0956839
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| Compound Name |
(6-(Trifluoromethyl)-[2,3'-bipyridin]-4-yl)methanamine trifluoroacetate
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| Structure |
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| Formula |
C14H11F6N3O2
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| Molecular Weight |
367.249
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| Canonical SMILES |
NCc1cc(-c2cccnc2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C12H10F3N3.C2HF3O2/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9;3-2(4,5)1(6)7/h1-5,7H,6,16H2;(H,6,7)
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| InChIKey |
SJUCTYPMEHJVMW-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