General Information of the Compound
| Compound ID |
CP0446772
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| Compound Name |
4-(furan-2-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C17H14F3N3O
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| Molecular Weight |
333.313
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| Canonical SMILES |
FC(F)(F)c1cc(nc(NCCc2ccccc2)n1)-c1ccco1
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| InChI |
InChI=1S/C17H14F3N3O/c18-17(19,20)15-11-13(14-7-4-10-24-14)22-16(23-15)21-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,21,22,23)
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| InChIKey |
RKVNKRKTJZOCBT-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: PT06109, Geminin
Protein ID: PT02546, Toll-like receptor 8