General Information of the Compound
| Compound ID |
CP0578098
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| Compound Name |
US9249085, I(an)
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| Structure |
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| Formula |
C22H15F3N2O3
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| Molecular Weight |
412.367
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| Canonical SMILES |
OC(=O)COc1ccc(F)c(NCc2cc(ccc2F)-c2cccc(F)c2)c1C#N
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| InChI |
InChI=1S/C22H15F3N2O3/c23-16-3-1-2-13(9-16)14-4-5-18(24)15(8-14)11-27-22-17(10-26)20(7-6-19(22)25)30-12-21(28)29/h1-9,27H,11-12H2,(H,28,29)
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| InChIKey |
ISYLAKGXTZRYDQ-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