General Information of the Compound
| Compound ID |
CP0567902
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| Compound Name |
US9434711, 218
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| Structure |
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| Formula |
C24H17F4NO5S2
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| Molecular Weight |
539.528
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| Canonical SMILES |
OCc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H17F4NO5S2/c25-20-10-5-14(11-19(20)24(26,27)28)12-29(22-18(13-30)17-3-1-2-4-21(17)35-22)36(33,34)16-8-6-15(7-9-16)23(31)32/h1-11,30H,12-13H2,(H,31,32)
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| InChIKey |
SFQJGXRCPPWTEQ-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