General Information of the Compound
| Compound ID |
CP0519535
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| Compound Name |
US9133168, Example 2a
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| Structure |
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| Formula |
C20H22F2N4O3
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| Molecular Weight |
404.417
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| Canonical SMILES |
CC(C(=O)N1CCc2c1cccc2F)c1nc(N2CCOCC2)c(F)c(=O)n1C
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| InChI |
InChI=1S/C20H22F2N4O3/c1-12(19(27)26-7-6-13-14(21)4-3-5-15(13)26)17-23-18(16(22)20(28)24(17)2)25-8-10-29-11-9-25/h3-5,12H,6-11H2,1-2H3
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| InChIKey |
HGJKRIWAWNVCGD-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