General Information of the Compound
| Compound ID |
CP0565645
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| Compound Name |
US8912224, 12
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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 |
Nc1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3cccc(F)c3)s2)ccn1
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| InChI |
InChI=1S/C25H21FN4O3S/c26-18-3-1-2-16(11-18)20-6-4-17-12-19(5-7-21(17)33-20)32-25-30-14-22(34-25)24(31)29-13-15-8-9-28-23(27)10-15/h1-3,5,7-12,14,20H,4,6,13H2,(H2,27,28)(H,29,31)
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| InChIKey |
LIKFVQWPJZXEDT-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