General Information of the Compound
| Compound ID |
CP0572312
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| Compound Name |
US9434711, 375
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| Structure |
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| Formula |
C25H18F5NO4S2
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| Molecular Weight |
555.546
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| Canonical SMILES |
COC(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2cc(F)ccc2c1C
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| InChI |
InChI=1S/C25H18F5NO4S2/c1-14-19-8-7-17(26)12-22(19)36-23(14)31(13-15-6-9-21(27)20(10-15)25(28,29)30)37(33,34)18-5-3-4-16(11-18)24(32)35-2/h3-12H,13H2,1-2H3
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| InChIKey |
UXPHJGLHDNKJRN-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