General Information of the Compound
| Compound ID |
CP0396168
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| Compound Name |
3-(4-butylpiperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C15H21N3
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| Molecular Weight |
243.354
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| Canonical SMILES |
CCCCN1CCN(CC1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C15H21N3/c1-2-3-7-17-8-10-18(11-9-17)15-6-4-5-14(12-15)13-16/h4-6,12H,2-3,7-11H2,1H3
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| InChIKey |
SYYRUOMUJYFAJE-UHFFFAOYSA-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: PT00943, D(3) dopamine receptor