General Information of the Compound
| Compound ID |
CP0477838
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| Compound Name |
US8772323, 18
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| Structure |
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| Formula |
C18H12FN3O2
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| Molecular Weight |
321.311
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12
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| InChI |
InChI=1S/C18H12FN3O2/c19-11-4-1-9(2-5-11)18-20-14-6-3-10(7-15(14)24-18)16-12-8-13(12)17(23)22-21-16/h1-7,12-13H,8H2,(H,22,23)
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| InChIKey |
LLWDDSSBHMYQQB-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