General Information of the Compound
| Compound ID |
CP0555384
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| Compound Name |
US9278960, 8-7
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| Structure |
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| Formula |
C25H19FN4O2
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| Molecular Weight |
426.451
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| Canonical SMILES |
COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3ccc(nc3)[N+]#[C-])ccc12)C(N)=O
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| InChI |
InChI=1S/C25H19FN4O2/c1-28-24-10-6-16(14-29-24)4-3-15-5-8-19-20(13-23(25(27)31)30-22(19)11-15)18-9-7-17(32-2)12-21(18)26/h5-14H,3-4H2,2H3,(H2,27,31)
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| InChIKey |
YVVYXOQGXOJEMV-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