General Information of the Compound
| Compound ID |
CP0850208
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| Compound Name |
3-[1-hydroxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-benzonitrile
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
N#Cc1cccc(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
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| InChI |
InChI=1S/C19H21N5O/c20-15-16-4-3-5-17(14-16)18(22-25)7-9-23-10-12-24(13-11-23)19-6-1-2-8-21-19/h1-6,8,14,25H,7,9-13H2/b22-18+
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| InChIKey |
GPRBXEJIWUKAOW-RELWKKBWSA-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