General Information of the Compound
| Compound ID |
CP0466462
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| Compound Name |
7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
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| Structure |
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| Formula |
C20H18FN3O3
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| Molecular Weight |
367.38
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| Canonical SMILES |
CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4)c(=O)n1c23
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| InChI |
InChI=1S/C20H18FN3O3/c1-11-4-5-13-7-14(21)8-15-17(13)24(11)20(27)16(18(15)25)19(26)23-10-12-3-2-6-22-9-12/h2-3,6-9,11,25H,4-5,10H2,1H3,(H,23,26)
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| InChIKey |
AIYVCKRQIPKGLQ-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