General Information of the Compound
| Compound ID |
CP0545006
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| Compound Name |
3-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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| Structure |
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| Formula |
C26H33ClN4O
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| Molecular Weight |
453.03
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=O)CC1
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| InChI |
InChI=1S/C26H33ClN4O/c27-22-10-6-11-23(20-22)29-18-16-28(17-19-29)13-3-1-2-4-14-30-24-12-5-8-21-9-7-15-31(25(21)24)26(30)32/h5-6,8,10-12,20H,1-4,7,9,13-19H2
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| InChIKey |
GHLSRSRUPDWWMF-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor