General Information of the Compound
| Compound ID |
CP0428802
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| Compound Name |
4-[[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]methyl]morpholine
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
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| InChI |
InChI=1S/C27H33N3O2/c1-31-27-10-6-5-9-26(27)30-13-11-28(12-14-30)20-22-19-23(21-29-15-17-32-18-16-29)25-8-4-2-3-7-24(22)25/h2-10,19H,11-18,20-21H2,1H3
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| InChIKey |
RMDQSWIVOHIFNT-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
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor