General Information of the Compound
| Compound ID |
CP0400150
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| Compound Name |
6-(4-(allyloxy)-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
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| Structure |
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| Formula |
C13H11F3N4O
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| Molecular Weight |
296.252
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| Canonical SMILES |
Nc1ccc(nc1)-c1nc(OCC=C)cc(n1)C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N4O/c1-2-5-21-11-6-10(13(14,15)16)19-12(20-11)9-4-3-8(17)7-18-9/h2-4,6-7H,1,5,17H2
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| InChIKey |
XRNZFZIAENRBGS-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