General Information of the Compound
| Compound ID |
CP0479346
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| Compound Name |
US9000044, 3
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| Structure |
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| Formula |
C25H18ClFO4S
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| Molecular Weight |
468.933
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H18ClFO4S/c1-15-18(12-24(28)29)11-17-5-8-20(27)14-23(17)25(15)16-6-9-21(10-7-16)32(30,31)22-4-2-3-19(26)13-22/h2-11,13-14H,12H2,1H3,(H,28,29)
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| InChIKey |
KHPXKTDOMJOSNJ-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