General Information of the Compound
| Compound ID |
CP0394645
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| Compound Name |
1-(4-chlorophenyl)-2-(methoxyaminomethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
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| Structure |
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| Formula |
C21H28ClN5O2
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| Molecular Weight |
417.941
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| Canonical SMILES |
CONCC(CN1CCN(CC1)c1ccccn1)C(=N/OC)\c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H28ClN5O2/c1-28-24-15-18(21(25-29-2)17-6-8-19(22)9-7-17)16-26-11-13-27(14-12-26)20-5-3-4-10-23-20/h3-10,18,24H,11-16H2,1-2H3/b25-21-
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| InChIKey |
AXJMLTACSVSDBA-DAFNUICNSA-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