General Information of the Compound
| Compound ID |
CP0555051
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| Compound Name |
1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C22H27N5O/c1-28-22-12-6-5-11-21(22)26-16-14-25(15-17-26)13-7-8-19-18-27(24-23-19)20-9-3-2-4-10-20/h2-6,9-12,18H,7-8,13-17H2,1H3
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| InChIKey |
XQESGARESDXCGW-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