General Information of the Compound
| Compound ID |
CP0537413
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| Compound Name |
US9434711, 378
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| Structure |
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| Formula |
C23H18F4N2O2S3
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| Molecular Weight |
526.602
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| Canonical SMILES |
CSc1ccc(cn1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C23H18F4N2O2S3/c1-14-17-5-3-4-6-20(17)33-22(14)29(34(30,31)16-8-10-21(32-2)28-12-16)13-15-7-9-19(24)18(11-15)23(25,26)27/h3-12H,13H2,1-2H3
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| InChIKey |
FDBRSTVFHPMUHT-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