General Information of the Compound
| Compound ID |
CP0427046
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| Compound Name |
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-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 |
C22H20FN3O3
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| Molecular Weight |
393.418
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| Canonical SMILES |
CC1CCc2cc(F)cc3c(O)c(C(=O)NC4CCc5ncccc45)c(=O)n1c23
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| InChI |
InChI=1S/C22H20FN3O3/c1-11-4-5-12-9-13(23)10-15-19(12)26(11)22(29)18(20(15)27)21(28)25-17-7-6-16-14(17)3-2-8-24-16/h2-3,8-11,17,27H,4-7H2,1H3,(H,25,28)
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| InChIKey |
HPCUWKZSSJYKGG-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