General Information of the Compound
| Compound ID |
CP0495361
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| Compound Name |
US9434711, 652
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| Structure |
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| Formula |
C23H18F4N2O4S3
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| Molecular Weight |
558.6
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1cc2ccccc2s1
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| InChI |
InChI=1S/C23H18F4N2O4S3/c1-35(30,31)28-17-7-9-18(10-8-17)36(32,33)29(22-13-16-4-2-3-5-21(16)34-22)14-15-6-11-20(24)19(12-15)23(25,26)27/h2-13,28H,14H2,1H3
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| InChIKey |
UBAITDXEQHDGGP-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