General Information of the Compound
| Compound ID |
CP0460184
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| Compound Name |
1-[[4-[3-[1-(2-ethoxyethyl)triazol-4-yl]propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C28H39N5O4
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| Molecular Weight |
509.651
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| Canonical SMILES |
CCOCCn1cc(CCCOc2ccc(CN3CCN(CC3)c3ccccc3OC)cc2OC)nn1
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| InChI |
InChI=1S/C28H39N5O4/c1-4-36-19-17-33-22-24(29-30-33)8-7-18-37-27-12-11-23(20-28(27)35-3)21-31-13-15-32(16-14-31)25-9-5-6-10-26(25)34-2/h5-6,9-12,20,22H,4,7-8,13-19,21H2,1-3H3
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| InChIKey |
WFNJZMXOSUJROE-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