General Information of the Compound
| Compound ID |
CP0851016
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| Compound Name |
(E)-1-(3,5-Difluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one Oxime
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| Structure |
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| Formula |
C18H20F2N4O
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| Molecular Weight |
346.381
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| Canonical SMILES |
O/N=C(\CCN1CCN(c2ccccn2)CC1)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C18H20F2N4O/c19-15-11-14(12-16(20)13-15)17(22-25)4-6-23-7-9-24(10-8-23)18-3-1-2-5-21-18/h1-3,5,11-13,25H,4,6-10H2/b22-17+
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| InChIKey |
NSPRGGACWOZIMQ-OQKWZONESA-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