General Information of the Compound
| Compound ID |
CP0439429
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| Compound Name |
(E)-1-(4-fluorophenyl)-2-(4-pyridin-2-yl)ethanone O-methyloxime
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| Structure |
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| Formula |
C18H21FN4O
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| Molecular Weight |
328.391
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| Canonical SMILES |
CO\N=C(\CN1CCN(CC1)c1ccccn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H21FN4O/c1-24-21-17(15-5-7-16(19)8-6-15)14-22-10-12-23(13-11-22)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3/b21-17-
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| InChIKey |
FHPKNBFLJRFJBV-FXBPSFAMSA-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