General Information of the Compound
| Compound ID |
CP0126504
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| Compound Name |
6-amino-7-fluoro-11-methyl-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
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| Structure |
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| Formula |
C24H26FN5O4
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| Molecular Weight |
467.501
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| Canonical SMILES |
CC1CC2(CCC2)n2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23
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| InChI |
InChI=1S/C24H26FN5O4/c1-13-11-24(6-4-7-24)30-12-14(23(32)33)21(31)16-18(26)17(25)19(22(34-13)20(16)30)29-10-9-28-15-5-2-3-8-27-15/h2-3,5,8,12-13,29H,4,6-7,9-11,26H2,1H3,(H,27,28)(H,32,33)
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| InChIKey |
KOFKPLUCMPXZKA-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