General Information of the Compound
| Compound ID |
CP0578847
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| Compound Name |
N-[[2-(dimethylamino)pyridin-3-yl]methyl]-7-fluoro-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 |
C22H23FN4O3
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| Molecular Weight |
410.449
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| Canonical SMILES |
CC1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4N(C)C)c(=O)n1c23
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| InChI |
InChI=1S/C22H23FN4O3/c1-12-6-7-13-9-15(23)10-16-18(13)27(12)22(30)17(19(16)28)21(29)25-11-14-5-4-8-24-20(14)26(2)3/h4-5,8-10,12,28H,6-7,11H2,1-3H3,(H,25,29)
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| InChIKey |
YNKJJGDFHRUXAQ-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