General Information of the Compound
| Compound ID |
CP0397630
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| Compound Name |
2-[4-(3'-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-yl]-pyrimidine
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| Structure |
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| Formula |
C21H21FN4
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| Molecular Weight |
348.425
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| Canonical SMILES |
Fc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
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| InChI |
InChI=1S/C21H21FN4/c22-20-7-2-6-19(15-20)18-5-1-4-17(14-18)16-25-10-12-26(13-11-25)21-23-8-3-9-24-21/h1-9,14-15H,10-13,16H2
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| InChIKey |
HSIMYBORWJJPOY-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