General Information of the Compound
| Compound ID |
CP0424647
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| Compound Name |
6-[difluoro-[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
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| Structure |
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| Formula |
C18H10F2N6O
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| Molecular Weight |
364.315
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| Canonical SMILES |
FC(F)(c1nnc2ncc(nn12)-c1ccco1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C18H10F2N6O/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H
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| InChIKey |
RWFTYIKGUHZDPR-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