General Information of the Compound
| Compound ID |
CP0474296
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| Compound Name |
4-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C24H32N6O
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| Molecular Weight |
420.561
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
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| InChI |
InChI=1S/C24H32N6O/c1-27(2)21-10-12-22(13-11-21)30-19-20(25-26-30)7-6-14-28-15-17-29(18-16-28)23-8-4-5-9-24(23)31-3/h4-5,8-13,19H,6-7,14-18H2,1-3H3
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| InChIKey |
XUIZPQCWJRMJBY-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