General Information of the Compound
| Compound ID |
CP0375302
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| Compound Name |
5-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]isoquinoline
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| Structure |
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| Formula |
C25H28N6O
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| Molecular Weight |
428.54
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2cccc3cnccc23)CC1
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| InChI |
InChI=1S/C25H28N6O/c1-32-25-10-3-2-8-24(25)30-16-14-29(15-17-30)13-5-7-21-19-31(28-27-21)23-9-4-6-20-18-26-12-11-22(20)23/h2-4,6,8-12,18-19H,5,7,13-17H2,1H3
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| InChIKey |
TZVLEJPHIWREPX-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