General Information of the Compound
| Compound ID |
CP0488775
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| Compound Name |
US8987445, 30
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| Structure |
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| Formula |
C25H17F4N2NaO4S
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| Molecular Weight |
540.47
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C25H18F4N2O4S.Na/c1-15-20-5-3-2-4-18(20)13-30-23(15)31(14-16-6-11-22(26)21(12-16)25(27,28)29)36(34,35)19-9-7-17(8-10-19)24(32)33;/h2-13H,14H2,1H3,(H,32,33);/q;+1/p-1
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| InChIKey |
YEPYEWXBPRAUAE-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