General Information of the Compound
| Compound ID |
CP0264790
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| Compound Name |
US9340555, 28
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| Structure |
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| Formula |
C28H24F2N4O5S
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| Molecular Weight |
566.586
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| Canonical SMILES |
COC(=O)C1CCN(C1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C28H24F2N4O5S/c1-15-3-5-18(29)21(11-15)33-28(37)32-20-6-4-17(12-19(20)30)39-23-7-9-31-22-13-24(40-25(22)23)26(35)34-10-8-16(14-34)27(36)38-2/h3-7,9,11-13,16H,8,10,14H2,1-2H3,(H2,32,33,37)
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| InChIKey |
ZYOXZBUWXWSWBB-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