General Information of the Compound
| Compound ID |
CP0428803
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| Compound Name |
1-(2-methoxyphenyl)-4-[[3-(2-phenylethynyl)azulen-1-yl]methyl]piperazine
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| Structure |
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| Formula |
C30H28N2O
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| Molecular Weight |
432.567
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cc(C#Cc3ccccc3)c3cccccc23)CC1
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| InChI |
InChI=1S/C30H28N2O/c1-33-30-15-9-8-14-29(30)32-20-18-31(19-21-32)23-26-22-25(17-16-24-10-4-2-5-11-24)27-12-6-3-7-13-28(26)27/h2-15,22H,18-21,23H2,1H3
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| InChIKey |
KMVWYPYWHLOVLW-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