General Information of the Compound
| Compound ID |
CP0563133
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| Compound Name |
US9434711, 64
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| Structure |
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| Formula |
C24H18F5NO3S2
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| Molecular Weight |
527.536
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| Canonical SMILES |
COc1ccc(cc1F)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C24H18F5NO3S2/c1-14-17-5-3-4-6-22(17)34-23(14)30(13-15-7-9-19(25)18(11-15)24(27,28)29)35(31,32)16-8-10-21(33-2)20(26)12-16/h3-12H,13H2,1-2H3
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| InChIKey |
LMLRQUDJJHZWNS-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