General Information of the Compound
| Compound ID |
CP0397536
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| Compound Name |
1-[5-(4-Fluoro-phenyl)-pyridin-3-ylmethyl]-4-phenyl-piperazine
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| Structure |
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| Formula |
C22H22FN3
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| Molecular Weight |
347.437
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| Canonical SMILES |
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C22H22FN3/c23-21-8-6-19(7-9-21)20-14-18(15-24-16-20)17-25-10-12-26(13-11-25)22-4-2-1-3-5-22/h1-9,14-16H,10-13,17H2
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| InChIKey |
OCWWFSWSVBBJST-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
Protein ID: PT01161, D(4) dopamine receptor