General Information of the Compound
| Compound ID |
CP0517886
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| Compound Name |
US9169240, 48
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| Structure |
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| Formula |
C28H18FN5O5S
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| Molecular Weight |
555.547
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| Canonical SMILES |
COc1nc(-c2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)c(OCc2ccccc2)c(=O)[nH]1
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| InChI |
InChI=1S/C28H18FN5O5S/c1-37-28-31-21(23(24(36)32-28)38-14-15-5-3-2-4-6-15)25-33-34-26(39-25)22(35)27-30-19-12-9-17(13-20(19)40-27)16-7-10-18(29)11-8-16/h2-13H,14H2,1H3,(H,31,32,36)
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| InChIKey |
VEIFDWKVGYRJBA-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