General Information of the Compound
| Compound ID |
CP0408464
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| Compound Name |
(E)-4-[1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzonitrile
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
CO\N=C(/CCN1CCN(CC1)c1ccccn1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C20H23N5O/c1-26-23-19(18-6-4-5-17(15-18)16-21)8-10-24-11-13-25(14-12-24)20-7-2-3-9-22-20/h2-7,9,15H,8,10-14H2,1H3/b23-19+
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| InChIKey |
LUUFOYDIFHDVPM-FCDQGJHFSA-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