General Information of the Compound
| Compound ID |
CP0492965
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| Compound Name |
US9434711, 795
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| Structure |
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| Formula |
C20H18F3NO5S2
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| Molecular Weight |
473.494
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)CCC(O)=O
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| InChI |
InChI=1S/C20H18F3NO5S2/c1-13-16-4-2-3-5-17(16)30-19(13)24(31(27,28)11-10-18(25)26)12-14-6-8-15(9-7-14)29-20(21,22)23/h2-9H,10-12H2,1H3,(H,25,26)
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| InChIKey |
WZOXXVFDPVXDBR-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