General Information of the Compound
| Compound ID |
CP0379917
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| Compound Name |
1-(4-chlorophenyl)-4-[[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]methyl]piperazine
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| Structure |
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| Formula |
C33H37ClN4O
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| Molecular Weight |
541.139
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccc(Cl)cc3)c3cccccc23)CC1
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| InChI |
InChI=1S/C33H37ClN4O/c1-39-33-10-6-5-9-32(33)38-21-17-36(18-22-38)25-27-23-26(30-7-3-2-4-8-31(27)30)24-35-15-19-37(20-16-35)29-13-11-28(34)12-14-29/h2-14,23H,15-22,24-25H2,1H3
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| InChIKey |
VDCBDIRJDJYCIZ-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