General Information of the Compound
| Compound ID |
CP0561662
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| Compound Name |
US9434711, 661
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| Structure |
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| Formula |
C23H16Br2F4N2O4S3
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| Molecular Weight |
716.392
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1Br)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C23H16Br2F4N2O4S3/c1-37(32,33)30-19-9-7-14(11-17(19)24)38(34,35)31(22-21(25)15-4-2-3-5-20(15)36-22)12-13-6-8-18(26)16(10-13)23(27,28)29/h2-11,30H,12H2,1H3
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| InChIKey |
IQZFOQFKHNCVCZ-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