General Information of the Compound
| Compound ID |
CP0478743
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| Compound Name |
US9187424, 279
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| Structure |
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| Formula |
C29H27F3N2O5S
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| Molecular Weight |
572.605
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)CS(C)(=O)=O)C(=O)NC(C1)(c1ccc(OCc2ccccc2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H27F3N2O5S/c1-19-8-10-21(11-9-19)24-16-28(29(30,31)32,34-27(36)26(24)33-25(35)18-40(2,37)38)22-12-14-23(15-13-22)39-17-20-6-4-3-5-7-20/h3-15H,16-18H2,1-2H3,(H,33,35)(H,34,36)
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| InChIKey |
IFBBZMKYHVFEBJ-UHFFFAOYSA-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