General Information of the Compound
| Compound ID |
CP0516841
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| Compound Name |
US9012443, 47
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| Structure |
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| Formula |
C24H17F3N4O2S2
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| Molecular Weight |
514.554
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C24H17F3N4O2S2/c1-31-22(9-10-29-31)21-14-16(24(25,26)27)5-7-20(21)19-4-2-3-15-13-17(6-8-18(15)19)35(32,33)30-23-28-11-12-34-23/h2-14H,1H3,(H,28,30)
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| InChIKey |
WSDDORJHYGSRLF-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