General Information of the Compound
| Compound ID |
CP0473629
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| Compound Name |
1-[[4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C26H35N5O4
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| Molecular Weight |
481.597
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| Canonical SMILES |
CCOCCn1cc(COc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
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| InChI |
InChI=1S/C26H35N5O4/c1-4-34-16-15-31-19-22(27-28-31)20-35-25-10-9-21(17-26(25)33-3)18-29-11-13-30(14-12-29)23-7-5-6-8-24(23)32-2/h5-10,17,19H,4,11-16,18,20H2,1-3H3
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| InChIKey |
YOQUNJDFYTYTTC-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