General Information of the Compound
| Compound ID |
CP0954542
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(oxetan-3-yl)benzamide trifluoroacetate
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| Structure |
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| Formula |
C19H17F6N3O5
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| Molecular Weight |
481.349
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| Canonical SMILES |
NCc1cc(Oc2cccc(C(=O)NC3COC3)c2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H16F3N3O3.C2HF3O2/c18-17(19,20)14-4-10(7-21)5-15(23-14)26-13-3-1-2-11(6-13)16(24)22-12-8-25-9-12;3-2(4,5)1(6)7/h1-6,12H,7-9,21H2,(H,22,24);(H,6,7)
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| InChIKey |
ZZBQUBOUKHLKGY-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