General Information of the Compound
| Compound ID |
CP0284687
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| Compound Name |
US9216981, 16
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| Structure |
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| Formula |
C22H15F2N7O4S2
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| Molecular Weight |
543.537
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| Canonical SMILES |
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C22H15F2N7O4S2/c1-35-22(32)19-14(6-8-36-19)37(33,34)31-13-5-4-12(23)17(15(13)24)30-20-11(3-2-7-25-20)16-18-21(28-9-26-16)29-10-27-18/h2-10,31H,1H3,(H,25,30)(H,26,27,28,29)
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| InChIKey |
NQISMKJSCFLCFF-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