General Information of the Compound
| Compound ID |
CP0518385
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| Compound Name |
US8987445, 151
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| Structure |
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| Formula |
C26H20F3N3O5S
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| Molecular Weight |
543.523
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cn1)c1ncc2ccccc2c1C1CC1
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| InChI |
InChI=1S/C26H20F3N3O5S/c27-26(28,29)37-20-10-9-19(30-14-20)15-32(38(35,36)21-11-7-17(8-12-21)25(33)34)24-23(16-5-6-16)22-4-2-1-3-18(22)13-31-24/h1-4,7-14,16H,5-6,15H2,(H,33,34)
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| InChIKey |
GDHXAVMCSJJMOW-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