General Information of the Compound
| Compound ID |
CP0550404
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| Compound Name |
US9974785, Example 14
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| Structure |
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| Formula |
C19H18BrF2N3O2S
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| Molecular Weight |
470.339
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| Canonical SMILES |
FC(F)c1cn(c2ccc(cc12)N1CCNCC1)S(=O)(=O)c1ccccc1Br
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| InChI |
InChI=1S/C19H18BrF2N3O2S/c20-16-3-1-2-4-18(16)28(26,27)25-12-15(19(21)22)14-11-13(5-6-17(14)25)24-9-7-23-8-10-24/h1-6,11-12,19,23H,7-10H2
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| InChIKey |
WBPBBIBVCUJBLU-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