General Information of the Compound
| Compound ID |
CP0517104
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| Compound Name |
US9434711, 421
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| Structure |
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| Formula |
C22H15F4NO4S2
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| Molecular Weight |
497.491
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| Canonical SMILES |
Fc1ccc(CN(C2=Cc3ccccc3S2(=O)=O)S(=O)(=O)c2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H15F4NO4S2/c23-19-11-10-15(12-18(19)22(24,25)26)14-27(33(30,31)17-7-2-1-3-8-17)21-13-16-6-4-5-9-20(16)32(21,28)29/h1-13H,14H2
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| InChIKey |
FGBBHEQHQLXNDK-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