General Information of the Compound
| Compound ID |
CP0234731
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| Compound Name |
4-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]triazol-1-yl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C25H34N6O
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| Molecular Weight |
434.588
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
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| InChI |
InChI=1S/C25H34N6O/c1-28(2)22-11-13-23(14-12-22)31-20-21(26-27-31)8-6-7-15-29-16-18-30(19-17-29)24-9-4-5-10-25(24)32-3/h4-5,9-14,20H,6-8,15-19H2,1-3H3
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| InChIKey |
JGDAHRAXXNLDGS-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