General Information of the Compound
| Compound ID |
CP0557267
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| Compound Name |
US8987445, 234
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| Structure |
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| Formula |
C26H14F5N2NaO4S2
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| Molecular Weight |
600.522
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| Canonical SMILES |
Fc1cc(F)c2cc(CN(c3ncc4ccccc4c3C(F)(F)F)S(=O)(=O)c3ccc(cc3)C(=O)O[Na])sc2c1
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| InChI |
InChI=1S/C26H15F5N2O4S2.Na/c27-16-9-21(28)20-11-17(38-22(20)10-16)13-33(39(36,37)18-7-5-14(6-8-18)25(34)35)24-23(26(29,30)31)19-4-2-1-3-15(19)12-32-24;/h1-12H,13H2,(H,34,35);/q;+1/p-1
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| InChIKey |
HHQSMALBGPCZLG-UHFFFAOYSA-M
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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