General Information of the Compound
| Compound ID |
CP0406867
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| Compound Name |
US9216981, 39
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| Structure |
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| Formula |
C24H16F2N8O2S2
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| Molecular Weight |
550.576
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| Canonical SMILES |
Cc1nc2ccc(cc2s1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C24H16F2N8O2S2/c1-12-32-16-6-4-13(9-18(16)37-12)38(35,36)34-17-7-5-15(25)21(19(17)26)33-23-14(3-2-8-27-23)20-22-24(30-10-28-20)31-11-29-22/h2-11,34H,1H3,(H,27,33)(H,28,29,30,31)
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| InChIKey |
JPSGNCLLQOXYGW-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