General Information of the Compound
| Compound ID |
CP0443372
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| Compound Name |
US9216981, 38
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| Structure |
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| Formula |
C25H19F2N7O3S
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| Molecular Weight |
535.536
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2cccc3CCCOc23)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C25H19F2N7O3S/c26-16-8-9-17(34-38(35,36)18-7-1-4-14-5-3-11-37-23(14)18)19(27)21(16)33-24-15(6-2-10-28-24)20-22-25(31-12-29-20)32-13-30-22/h1-2,4,6-10,12-13,34H,3,5,11H2,(H,28,33)(H,29,30,31,32)
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| InChIKey |
BZIPSTPBTUOWRZ-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