General Information of the Compound
| Compound ID |
CP0484173
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| Compound Name |
US9216981, 8
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| Structure |
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| Formula |
C22H13ClF3N7O2S
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| Molecular Weight |
531.907
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C22H13ClF3N7O2S/c23-11-3-6-16(14(25)8-11)36(34,35)33-15-5-4-13(24)19(17(15)26)32-21-12(2-1-7-27-21)18-20-22(30-9-28-18)31-10-29-20/h1-10,33H,(H,27,32)(H,28,29,30,31)
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| InChIKey |
MTPJVAPNIHBGGV-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