General Information of the Compound
| Compound ID |
CP0871160
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)propyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C28H37Cl4N5O3
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| Molecular Weight |
633.448
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C28H34ClN5O3.3ClH/c1-19-23(29)6-4-7-24(19)33-14-12-32(13-15-33)11-5-10-30-28(35)27-20(2)34(21(3)31-27)22-8-9-25-26(18-22)37-17-16-36-25;;;/h4,6-9,18H,5,10-17H2,1-3H3,(H,30,35);3*1H
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| InChIKey |
BZRTXOROILQDJS-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter