General Information of the Compound
| Compound ID |
CP0519193
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| Compound Name |
US9434711, 675
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| Structure |
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| Formula |
C26H19F4NO4S2
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| Molecular Weight |
549.567
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C1CC1
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| InChI |
InChI=1S/C26H19F4NO4S2/c27-21-12-5-15(13-20(21)26(28,29)30)14-31(37(34,35)18-10-8-17(9-11-18)25(32)33)24-23(16-6-7-16)19-3-1-2-4-22(19)36-24/h1-5,8-13,16H,6-7,14H2,(H,32,33)
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| InChIKey |
ACTXJGROCMBKFH-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