General Information of the Compound
| Compound ID |
CP0871164
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)-2-hydroxypropyl)-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 |
C28H37Cl4N5O4
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| Molecular Weight |
649.447
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(CC(O)CNC(=O)c2nc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C28H34ClN5O4.3ClH/c1-18-23(29)5-4-6-24(18)33-11-9-32(10-12-33)17-22(35)16-30-28(36)27-19(2)34(20(3)31-27)21-7-8-25-26(15-21)38-14-13-37-25;;;/h4-8,15,22,35H,9-14,16-17H2,1-3H3,(H,30,36);3*1H
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| InChIKey |
SMGIYSPPPRPALV-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