General Information of the Compound
| Compound ID |
CP0321300
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| Compound Name |
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-5-phenylpyridin-2-amine
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| Structure |
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| Formula |
C25H29FN4
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| Molecular Weight |
404.533
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| Canonical SMILES |
Fc1ccccc1N1CCN(CCCCNc2ccc(cn2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C25H29FN4/c26-23-10-4-5-11-24(23)30-18-16-29(17-19-30)15-7-6-14-27-25-13-12-22(20-28-25)21-8-2-1-3-9-21/h1-5,8-13,20H,6-7,14-19H2,(H,27,28)
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| InChIKey |
AUOXZICNYGBVPT-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