General Information of the Compound
| Compound ID |
CP0537400
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| Compound Name |
US9434711, 192
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| Structure |
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| Formula |
C24H16BrF4NO4S2
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| Molecular Weight |
602.425
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C24H16BrF4NO4S2/c1-34-23(31)15-7-9-16(10-8-15)36(32,33)30(22-21(25)17-4-2-3-5-20(17)35-22)13-14-6-11-19(26)18(12-14)24(27,28)29/h2-12H,13H2,1H3
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| InChIKey |
DMOQQYOVEUFDSE-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