General Information of the Compound
| Compound ID |
CP0518384
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| Compound Name |
US8987445, 144
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| Structure |
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| Formula |
C26H21F3N2O5S
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| Molecular Weight |
530.524
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| Canonical SMILES |
CCc1cc2ccccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H21F3N2O5S/c1-2-18-15-20-5-3-4-6-23(20)30-24(18)31(16-17-7-11-21(12-8-17)36-26(27,28)29)37(34,35)22-13-9-19(10-14-22)25(32)33/h3-15H,2,16H2,1H3,(H,32,33)
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| InChIKey |
BRNWKTFARZWHHS-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