General Information of the Compound
| Compound ID |
CP0443371
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| Compound Name |
US9216981, 37
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| Structure |
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| Formula |
C24H15F2N7O3S
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| Molecular Weight |
519.493
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2cccc3ccoc23)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C24H15F2N7O3S/c25-15-6-7-16(33-37(34,35)17-5-1-3-13-8-10-36-22(13)17)18(26)20(15)32-23-14(4-2-9-27-23)19-21-24(30-11-28-19)31-12-29-21/h1-12,33H,(H,27,32)(H,28,29,30,31)
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| InChIKey |
SPWVDJAZRHNFJA-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