General Information of the Compound
| Compound ID |
CP0459858
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| Compound Name |
US9000044, 42
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| Structure |
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| Formula |
C26H22FNO4S
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| Molecular Weight |
463.53
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| Canonical SMILES |
Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2c(C)c(CC(O)=O)cc3ccc(F)cc23)cc1
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| InChI |
InChI=1S/C26H22FNO4S/c1-16-3-9-22(10-4-16)28-33(31,32)23-11-6-18(7-12-23)26-17(2)20(14-25(29)30)13-19-5-8-21(27)15-24(19)26/h3-13,15,28H,14H2,1-2H3,(H,29,30)
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| InChIKey |
HQJFZYQXRRPYBC-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