General Information of the Compound
| Compound ID |
CP0455857
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| Compound Name |
7-fluoro-N-[(5-fluoropyridin-3-yl)methyl]-4-hydroxy-12-methyl-2-oxo-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 |
C20H17F2N3O3
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| Molecular Weight |
385.37
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| Canonical SMILES |
CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4cncc(F)c4)c(=O)n1c23
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| InChI |
InChI=1S/C20H17F2N3O3/c1-10-2-3-12-5-13(21)6-15-17(12)25(10)20(28)16(18(15)26)19(27)24-8-11-4-14(22)9-23-7-11/h4-7,9-10,26H,2-3,8H2,1H3,(H,24,27)
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| InChIKey |
AQJSVLJXJCBKAH-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