General Information of the Compound
| Compound ID |
CP0417068
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| Compound Name |
3-[6-[4-(2-methoxyphenyl)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 |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=O)CC1
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| InChI |
InChI=1S/C27H36N4O2/c1-33-25-14-5-4-12-23(25)29-20-18-28(19-21-29)15-6-2-3-7-16-30-24-13-8-10-22-11-9-17-31(26(22)24)27(30)32/h4-5,8,10,12-14H,2-3,6-7,9,11,15-21H2,1H3
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| InChIKey |
HKOFHLGKVUBWFI-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