General Information of the Compound
| Compound ID |
CP0441720
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| Compound Name |
1-(4-Fluoro-phenyl)-3-(hydroxy-phenethyl-amino)-propenone
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| Structure |
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| Formula |
C17H16FNO2
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| Molecular Weight |
285.318
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| Canonical SMILES |
ON(CCc1ccccc1)\C=C/C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H16FNO2/c18-16-8-6-15(7-9-16)17(20)11-13-19(21)12-10-14-4-2-1-3-5-14/h1-9,11,13,21H,10,12H2/b13-11-
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| InChIKey |
KIAVJOXMWVVZJL-QBFSEMIESA-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