General Information of the Compound
| Compound ID |
CP0560407
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| Compound Name |
US11078186, Example 28
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| Structure |
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| Formula |
C22H22F6N2O2
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| Molecular Weight |
460.418
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| Canonical SMILES |
C[C@@]1(CN(CC(N)=O)C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C22H22F6N2O2/c1-19(15-5-3-2-4-6-15)13-30(12-18(29)31)11-17(19)14-7-9-16(10-8-14)20(32,21(23,24)25)22(26,27)28/h2-10,17,32H,11-13H2,1H3,(H2,29,31)/t17-,19+/m0/s1
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| InChIKey |
NANKRNOZMVMNLJ-PKOBYXMFSA-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