General Information of the Compound
| Compound ID |
CP0492963
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| Compound Name |
US9434711, 686
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| Structure |
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| Formula |
C23H14F5NO4S2
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| Molecular Weight |
527.492
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| Canonical SMILES |
OC(=O)c1ccc(c(F)c1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1cc2ccccc2s1
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| InChI |
InChI=1S/C23H14F5NO4S2/c24-17-7-5-13(9-16(17)23(26,27)28)12-29(21-11-14-3-1-2-4-19(14)34-21)35(32,33)20-8-6-15(22(30)31)10-18(20)25/h1-11H,12H2,(H,30,31)
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| InChIKey |
ADJXVPOHVOQRCW-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