General Information of the Compound
| Compound ID |
CP0419675
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| Compound Name |
US9422235, 55
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| Structure |
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| Formula |
C21H26F3N3O3S
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| Molecular Weight |
457.518
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| Canonical SMILES |
CN(C)c1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCOCC2)cc1
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| InChI |
InChI=1S/C21H26F3N3O3S/c1-27(2)18-6-3-16(4-7-18)26-17-5-8-20(19(13-17)21(22,23)24)31(28,29)25-14-15-9-11-30-12-10-15/h3-8,13,15,25-26H,9-12,14H2,1-2H3
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| InChIKey |
HWTXHQCGKKGERI-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