General Information of the Compound
| Compound ID |
CP0564117
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| Compound Name |
US9434711, 698
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| Structure |
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| Formula |
C27H21F4NO4S2
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| Molecular Weight |
563.594
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C1CCC1
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| InChI |
InChI=1S/C27H21F4NO4S2/c28-22-13-8-16(14-21(22)27(29,30)31)15-32(38(35,36)19-11-9-18(10-12-19)26(33)34)25-24(17-4-3-5-17)20-6-1-2-7-23(20)37-25/h1-2,6-14,17H,3-5,15H2,(H,33,34)
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| InChIKey |
FYEUELFLGXHGOX-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