General Information of the Compound
| Compound ID |
CP0574854
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| Compound Name |
(13S)-8-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-7-fluoro-13-methyl-2-oxo-10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxylic acid
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| Structure |
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| Formula |
C21H24FN3O4
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| Molecular Weight |
401.438
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| Canonical SMILES |
C[C@H]1CCOc2c(N3CC[C@H](C3)C3(N)CC3)c(F)cc3cc(C(O)=O)c(=O)n1c23
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| InChI |
InChI=1S/C21H24FN3O4/c1-11-3-7-29-18-16-12(8-14(20(27)28)19(26)25(11)16)9-15(22)17(18)24-6-2-13(10-24)21(23)4-5-21/h8-9,11,13H,2-7,10,23H2,1H3,(H,27,28)/t11-,13+/m0/s1
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| InChIKey |
TVCFBOWWEJUJPT-WCQYABFASA-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