General Information of the Compound
| Compound ID |
CP0497550
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| Compound Name |
(E)-1-[3-(6-fluoropyridin-3-yl)phenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H16FNO3
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| Molecular Weight |
349.361
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2cccc(c2)-c2ccc(F)nc2)cc1O
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| InChI |
InChI=1S/C21H16FNO3/c1-26-20-9-6-14(11-19(20)25)5-8-18(24)16-4-2-3-15(12-16)17-7-10-21(22)23-13-17/h2-13,25H,1H3/b8-5+
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| InChIKey |
XWNDHNHOMCULNC-VMPITWQZSA-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