General Information of the Compound
| Compound ID |
CP0566213
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| Compound Name |
US9133168, Example 8a
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| Structure |
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| Formula |
C20H23FN4O3
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| Molecular Weight |
386.427
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| Canonical SMILES |
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C
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| InChI |
InChI=1S/C20H23FN4O3/c1-13-11-14-5-3-4-6-15(14)25(13)17(26)12-16-22-19(18(21)20(27)23(16)2)24-7-9-28-10-8-24/h3-6,13H,7-12H2,1-2H3/t13-/m0/s1
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| InChIKey |
WNDIDRVWGKFTMO-ZDUSSCGKSA-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