General Information of the Compound
| Compound ID |
CP0444989
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| Compound Name |
US9434711, 681
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| Structure |
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| Formula |
C18H14Cl3F3N2O4S3
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| Molecular Weight |
581.874
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| Canonical SMILES |
CS(=O)(=O)Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C18H14Cl3F3N2O4S3/c1-32(27,28)25-16-12(19)8-10(9-13(16)20)33(29,30)26(7-6-18(22,23)24)17-15(21)11-4-2-3-5-14(11)31-17/h2-5,8-9,25H,6-7H2,1H3
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| InChIKey |
PMFJCYACAKFRNB-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