General Information of the Compound
| Compound ID |
CP0566965
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| Compound Name |
US8912224, 56
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| Structure |
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| Formula |
C25H21FN4O3S
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| Molecular Weight |
476.533
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| Canonical SMILES |
Cc1nccc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3cccc(F)c3)s2)n1
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| InChI |
InChI=1S/C25H21FN4O3S/c1-15-27-10-9-19(30-15)13-28-24(31)23-14-29-25(34-23)32-20-6-8-22-17(12-20)5-7-21(33-22)16-3-2-4-18(26)11-16/h2-4,6,8-12,14,21H,5,7,13H2,1H3,(H,28,31)
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| InChIKey |
SVCZKWSFRBCNDE-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