General Information of the Compound
| Compound ID |
CP0520256
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| Compound Name |
US9365558, 17
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| Structure |
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| Formula |
C28H25F3N2O5S
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| Molecular Weight |
558.578
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCc2ccccc2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H25F3N2O5S/c1-18-8-10-20(11-9-18)23-16-27(28(29,30)31,32-25(34)24(23)26(35)33-39(2,36)37)21-12-14-22(15-13-21)38-17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,32,34)(H,33,35)/t27-/m0/s1
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| InChIKey |
GPANQDQNKFDQIF-MHZLTWQESA-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