General Information of the Compound
| Compound ID |
CP0495364
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| Compound Name |
US9434711, 683
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| Structure |
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| Formula |
C18H15Br2F3N2O4S3
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| Molecular Weight |
636.331
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1Br)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C18H15Br2F3N2O4S3/c1-31(26,27)24-14-7-6-11(10-13(14)19)32(28,29)25(9-8-18(21,22)23)17-16(20)12-4-2-3-5-15(12)30-17/h2-7,10,24H,8-9H2,1H3
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| InChIKey |
VDNBKIUJNHVSLO-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