General Information of the Compound
| Compound ID |
CP0449146
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| Compound Name |
1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine
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| Structure |
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| Formula |
C27H31N5O
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| Molecular Weight |
441.579
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C27H31N5O/c1-33-27-11-5-4-10-26(27)31-18-16-30(17-19-31)14-6-7-15-32-21-25(28-29-32)24-13-12-22-8-2-3-9-23(22)20-24/h2-5,8-13,20-21H,6-7,14-19H2,1H3
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| InChIKey |
ZDQCZUNCBWFZGJ-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