General Information of the Compound
| Compound ID |
CP0046194
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| Compound Name |
4-[3-(6-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C21H18FN3O2
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| Molecular Weight |
363.392
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| Canonical SMILES |
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C21H18FN3O2/c1-26-18-8-6-16(7-9-18)21(13-27-20(23)25-21)17-4-2-3-14(11-17)15-5-10-19(22)24-12-15/h2-12H,13H2,1H3,(H2,23,25)
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| InChIKey |
RFRRGWXFYJGVKX-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