General Information of the Compound
| Compound ID |
CP0518627
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| Compound Name |
US9169240, 62
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| Structure |
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| Formula |
C25H19FN4O3S
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| Molecular Weight |
474.517
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| Canonical SMILES |
COc1ccc(CCNc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C25H19FN4O3S/c1-32-19-9-2-15(3-10-19)12-13-27-25-30-29-23(33-25)22(31)24-28-20-11-6-17(14-21(20)34-24)16-4-7-18(26)8-5-16/h2-11,14H,12-13H2,1H3,(H,27,30)
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| InChIKey |
GXYIKTRJUFPHCC-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