General Information of the Compound
| Compound ID |
CP0511988
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| Compound Name |
US11078186, Example 45
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| Structure |
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| Formula |
C22H21F6NO2
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| Molecular Weight |
445.403
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| Canonical SMILES |
CC(=O)N1C[C@@H](c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)[C@](C)(C1)c1ccccc1
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| InChI |
InChI=1S/C22H21F6NO2/c1-14(30)29-12-18(19(2,13-29)16-6-4-3-5-7-16)15-8-10-17(11-9-15)20(31,21(23,24)25)22(26,27)28/h3-11,18,31H,12-13H2,1-2H3/t18-,19+/m0/s1
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| InChIKey |
AUXZEIGUWQDCNZ-RBUKOAKNSA-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