General Information of the Compound
| Compound ID |
CP0503615
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| Compound Name |
US9216981, 13
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| Structure |
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| Formula |
C23H13F6N7O2S
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| Molecular Weight |
565.459
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| Canonical SMILES |
Fc1ccc(c(c1)C(F)(F)F)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C23H13F6N7O2S/c24-11-3-6-16(13(8-11)23(27,28)29)39(37,38)36-15-5-4-14(25)19(17(15)26)35-21-12(2-1-7-30-21)18-20-22(33-9-31-18)34-10-32-20/h1-10,36H,(H,30,35)(H,31,32,33,34)
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| InChIKey |
MODKADBEDFUKGW-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