General Information of the Compound
| Compound ID |
CP0894626
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)propyl)-5-methyl-1-phenyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C28H39Cl4N5O
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| Molecular Weight |
603.466
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| Canonical SMILES |
CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1.Cl.Cl.Cl
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| InChI |
InChI=1S/C28H36ClN5O.3ClH/c1-4-10-26-31-27(22(3)34(26)23-11-6-5-7-12-23)28(35)30-15-9-16-32-17-19-33(20-18-32)25-14-8-13-24(29)21(25)2;;;/h5-8,11-14H,4,9-10,15-20H2,1-3H3,(H,30,35);3*1H
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| InChIKey |
OQDYFLMNZYARMO-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