General Information of the Compound
| Compound ID |
CP0442275
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| Compound Name |
US8987445, 235
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| Structure |
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| Formula |
C28H19F6N2NaO4S
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| Molecular Weight |
616.515
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| Canonical SMILES |
Fc1cc(CN(c2ncc3ccccc3c2C(F)(F)F)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])ccc1C(F)(F)C1CC1
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| InChI |
InChI=1S/C28H20F6N2O4S.Na/c29-23-13-16(5-12-22(23)27(30,31)19-8-9-19)15-36(41(39,40)20-10-6-17(7-11-20)26(37)38)25-24(28(32,33)34)21-4-2-1-3-18(21)14-35-25;/h1-7,10-14,19H,8-9,15H2,(H,37,38);/q;+1/p-1
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| InChIKey |
XLXYGZRIJOBTSA-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