General Information of the Compound
| Compound ID |
CP0483306
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| Compound Name |
US9422235, 70
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| Structure |
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| Formula |
C20H18F3N3O4S
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| Molecular Weight |
453.442
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| Canonical SMILES |
CN1C(=O)c2ccc(Nc3ccc(c(c3)C(F)(F)F)S(=O)(=O)NCC3CC3)cc2C1=O
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| InChI |
InChI=1S/C20H18F3N3O4S/c1-26-18(27)14-6-4-12(8-15(14)19(26)28)25-13-5-7-17(16(9-13)20(21,22)23)31(29,30)24-10-11-2-3-11/h4-9,11,24-25H,2-3,10H2,1H3
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| InChIKey |
ZEIQLEBXUZMONB-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