General Information of the Compound
| Compound ID |
CP0480074
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| Compound Name |
US9000044, 1
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| Structure |
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| Formula |
C26H21FO4S
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| Molecular Weight |
448.515
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)c1ccc(cc1)-c1c(C)c(CC(O)=O)cc2ccc(F)cc12
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| InChI |
InChI=1S/C26H21FO4S/c1-16-5-3-4-6-24(16)32(30,31)22-11-8-18(9-12-22)26-17(2)20(14-25(28)29)13-19-7-10-21(27)15-23(19)26/h3-13,15H,14H2,1-2H3,(H,28,29)
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| InChIKey |
CIEBAZGXWLYEPD-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