General Information of the Compound
| Compound ID |
CP0484487
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| Compound Name |
US9422235, 69
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| Structure |
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| Formula |
C21H22F3N3O3S
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| Molecular Weight |
453.486
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| Canonical SMILES |
CC(=O)N1CCc2ccc(Nc3ccc(c(c3)C(F)(F)F)S(=O)(=O)NCC3CC3)cc12
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| InChI |
InChI=1S/C21H22F3N3O3S/c1-13(28)27-9-8-15-4-5-17(11-19(15)27)26-16-6-7-20(18(10-16)21(22,23)24)31(29,30)25-12-14-2-3-14/h4-7,10-11,14,25-26H,2-3,8-9,12H2,1H3
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| InChIKey |
MJZCCERKIDMRDR-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