General Information of the Compound
| Compound ID |
CP0556084
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| Compound Name |
US8987445, 138
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| Structure |
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| Formula |
C25H17ClF3N2NaO5S
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| Molecular Weight |
572.924
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| Canonical SMILES |
Cc1cc2c(Cl)cccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C25H18ClF3N2O5S.Na/c1-15-13-20-21(26)3-2-4-22(20)30-23(15)31(14-16-5-9-18(10-6-16)36-25(27,28)29)37(34,35)19-11-7-17(8-12-19)24(32)33;/h2-13H,14H2,1H3,(H,32,33);/q;+1/p-1
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| InChIKey |
FMNDZNXTDJLOMV-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