General Information of the Compound
| Compound ID |
CP0394442
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| Compound Name |
6-fluoro-2-(4-pent-4-ynoxyphenyl)chromen-4-one
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| Structure |
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| Formula |
C20H15FO3
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| Molecular Weight |
322.335
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| Canonical SMILES |
Fc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCC#C)cc1
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| InChI |
InChI=1S/C20H15FO3/c1-2-3-4-11-23-16-8-5-14(6-9-16)20-13-18(22)17-12-15(21)7-10-19(17)24-20/h1,5-10,12-13H,3-4,11H2
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| InChIKey |
ZGVUOTZKAXBMKP-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