General Information of the Compound
| Compound ID |
CP0546945
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| Compound Name |
US9000044, 23
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| Structure |
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| Formula |
C25H17ClF2O4S
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| Molecular Weight |
486.923
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(Cl)cc2c1-c1ccc(cc1)S(=O)(=O)c1ccc(F)cc1F
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| InChI |
InChI=1S/C25H17ClF2O4S/c1-14-17(11-24(29)30)10-16-2-5-18(26)12-21(16)25(14)15-3-7-20(8-4-15)33(31,32)23-9-6-19(27)13-22(23)28/h2-10,12-13H,11H2,1H3,(H,29,30)
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| InChIKey |
QLPKQCYPZISVIV-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