General Information of the Compound
| Compound ID |
CP0395313
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| Compound Name |
(E)-1-(3,5-difluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one O-methyloxime
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| Structure |
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| Formula |
C19H22F2N4O
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| Molecular Weight |
360.408
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| Canonical SMILES |
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C19H22F2N4O/c1-26-23-18(15-12-16(20)14-17(21)13-15)5-7-24-8-10-25(11-9-24)19-4-2-3-6-22-19/h2-4,6,12-14H,5,7-11H2,1H3/b23-18+
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| InChIKey |
DWXTXKLKQKWXGL-PTGBLXJZSA-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