General Information of the Compound
| Compound ID |
CP0466878
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| Compound Name |
US9067871, 29
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| Structure |
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| Formula |
C21H20Cl2F3NO5S
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| Molecular Weight |
526.36
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H20Cl2F3NO5S/c1-2-31-20(28)27-19-8-5-13-4-6-14(32-33(29,30)21(24,25)26)11-15(13)16(19)9-12-3-7-17(22)18(23)10-12/h3-4,6-7,10-11,16,19H,2,5,8-9H2,1H3,(H,27,28)
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| InChIKey |
IYOXRIYLNPCVQS-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