General Information of the Compound
| Compound ID |
CP0518920
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| Compound Name |
US9012443, 53
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| Structure |
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| Formula |
C23H14F3N5O2S2
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| Molecular Weight |
513.526
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)-c1ccncc1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C23H14F3N5O2S2/c24-23(25,26)16-1-3-19(20(12-16)14-5-8-27-9-6-14)21-18-4-2-17(11-15(18)7-10-28-21)35(32,33)31-22-29-13-30-34-22/h1-13H,(H,29,30,31)
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| InChIKey |
INWWBXFEFPNCFR-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