General Information of the Compound
| Compound ID |
CP0520873
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| Compound Name |
US9434711, 592
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| Structure |
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| Formula |
C24H16F5NO4S2
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| Molecular Weight |
541.519
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1F)C(O)=O
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| InChI |
InChI=1S/C24H16F5NO4S2/c1-13-16-4-2-3-5-20(16)35-22(13)30(12-14-6-8-18(25)17(10-14)24(27,28)29)36(33,34)21-9-7-15(23(31)32)11-19(21)26/h2-11H,12H2,1H3,(H,31,32)
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| InChIKey |
IEGKHNDKIZNQDU-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