General Information of the Compound
| Compound ID |
CP0851022
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| Compound Name |
(E)-1-(4-fluorophenyl)-2-(4-pyridin-2-yl)ethanone oxime
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| Structure |
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| Formula |
C17H19FN4O
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| Molecular Weight |
314.364
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| Canonical SMILES |
O/N=C(/CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H19FN4O/c18-15-6-4-14(5-7-15)16(20-23)13-21-9-11-22(12-10-21)17-3-1-2-8-19-17/h1-8,23H,9-13H2/b20-16-
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| InChIKey |
VXVYHQMBVYMUCI-SILNSSARSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor