General Information of the Compound
| Compound ID |
CP0551116
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| Compound Name |
US8987445, 112
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| Structure |
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| Formula |
C26H19F3N2O6S
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| Molecular Weight |
544.507
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| Canonical SMILES |
CC(=O)c1c(ncc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H19F3N2O6S/c1-16(32)23-22-5-3-2-4-19(22)14-30-24(23)31(15-17-6-10-20(11-7-17)37-26(27,28)29)38(35,36)21-12-8-18(9-13-21)25(33)34/h2-14H,15H2,1H3,(H,33,34)
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| InChIKey |
NPQAFMXGAJZAOF-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