General Information of the Compound
| Compound ID |
CP0775801
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| Compound Name |
5-((1H-1,2,4-Triazol-1-yl)methyl)-N-(3-(4-(3-chloro-2-methylphenyl)piperazin-1-yl)propyl)-1,2-diphenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C33H38Cl4N8O
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| Molecular Weight |
704.534
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)c2Cn2cncn2)CC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C33H35ClN8O.3ClH/c1-25-28(34)14-8-15-29(25)40-20-18-39(19-21-40)17-9-16-36-33(43)31-30(22-41-24-35-23-37-41)42(27-12-6-3-7-13-27)32(38-31)26-10-4-2-5-11-26;;;/h2-8,10-15,23-24H,9,16-22H2,1H3,(H,36,43);3*1H
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| InChIKey |
WVTAOBVWAHTAMN-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter