General Information of the Compound
| Compound ID |
CP0189677
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| Compound Name |
5,6,7,8-tetrafluoro-2-methyl-4-oxo-1-benzopyran-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C13H8F4O4
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| Molecular Weight |
304.195
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| Canonical SMILES |
CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O
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| InChI |
InChI=1S/C13H8F4O4/c1-3-20-13(19)5-4(2)21-12-6(11(5)18)7(14)8(15)9(16)10(12)17/h3H2,1-2H3
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| InChIKey |
APHVYXJZVANHDP-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor