General Information of the Compound
| Compound ID |
CP0087394
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| Compound Name |
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(4-nitrophenyl)triazole-4-carboxamide
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| Structure |
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| Formula |
C22H25N7O4
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| Molecular Weight |
451.487
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| Canonical SMILES |
COc1ccccc1N1CCN(CCNC(=O)c2cn(nn2)-c2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C22H25N7O4/c1-33-21-5-3-2-4-20(21)27-14-12-26(13-15-27)11-10-23-22(30)19-16-28(25-24-19)17-6-8-18(9-7-17)29(31)32/h2-9,16H,10-15H2,1H3,(H,23,30)
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| InChIKey |
JIMZYWHOJZKVBJ-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