General Information of the Compound
| Compound ID |
CP0853002
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)-2-hydroxypropyl)-5-methyl-1,2-diphenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C31H37Cl4N5O2
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| Molecular Weight |
653.482
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(CC(O)CNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)c2C)CC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C31H34ClN5O2.3ClH/c1-22-27(32)14-9-15-28(22)36-18-16-35(17-19-36)21-26(38)20-33-31(39)29-23(2)37(25-12-7-4-8-13-25)30(34-29)24-10-5-3-6-11-24;;;/h3-15,26,38H,16-21H2,1-2H3,(H,33,39);3*1H
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| InChIKey |
NHYJAEYQQPWYLG-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