General Information of the Compound
| Compound ID |
CP0375407
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| Compound Name |
1-[3-[1-(4-fluorophenyl)triazol-4-yl]propyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C22H26FN5O
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| Molecular Weight |
395.482
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H26FN5O/c1-29-22-7-3-2-6-21(22)27-15-13-26(14-16-27)12-4-5-19-17-28(25-24-19)20-10-8-18(23)9-11-20/h2-3,6-11,17H,4-5,12-16H2,1H3
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| InChIKey |
UUDQCIUOURNBBY-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