General Information of the Compound
| Compound ID |
CP0943698
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| Compound Name |
(6-(4-Fluorophenoxy)pyrimidin-4-yl)methanamine trifluoroacetate
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| Structure |
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| Formula |
C13H11F4N3O3
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| Molecular Weight |
333.241
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| Canonical SMILES |
NCc1cc(Oc2ccc(F)cc2)ncn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C11H10FN3O.C2HF3O2/c12-8-1-3-10(4-2-8)16-11-5-9(6-13)14-7-15-11;3-2(4,5)1(6)7/h1-5,7H,6,13H2;(H,6,7)
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| InChIKey |
SJKNTURMSOZDHZ-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