General Information of the Compound
| Compound ID |
CP0438170
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| Compound Name |
7-fluoro-4-hydroxy-12-methyl-2-oxo-N-(2-pyridin-3-ylethyl)-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 |
C21H20FN3O3
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| Molecular Weight |
381.407
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| Canonical SMILES |
CC1CCc2cc(F)cc3c(O)c(C(=O)NCCc4cccnc4)c(=O)n1c23
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| InChI |
InChI=1S/C21H20FN3O3/c1-12-4-5-14-9-15(22)10-16-18(14)25(12)21(28)17(19(16)26)20(27)24-8-6-13-3-2-7-23-11-13/h2-3,7,9-12,26H,4-6,8H2,1H3,(H,24,27)
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| InChIKey |
GXOQQRMUHYNEDF-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