General Information of the Compound
| Compound ID |
CP0474770
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| Compound Name |
US9434711, 426
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| Structure |
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| Formula |
C20H17F4NO4S2
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| Molecular Weight |
475.485
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| Canonical SMILES |
Cc1c(sc2cc(F)ccc12)N(CCCC(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H17F4NO4S2/c1-12-16-8-5-14(21)11-17(16)30-18(12)25(10-2-9-20(22,23)24)31(28,29)15-6-3-13(4-7-15)19(26)27/h3-8,11H,2,9-10H2,1H3,(H,26,27)
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| InChIKey |
OJFCIMUNFCBURZ-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