General Information of the Compound
| Compound ID |
CP0857559
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H39Cl6N5O3
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| Molecular Weight |
718.381
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| Canonical SMILES |
CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C29H35Cl2N5O3.4ClH/c1-3-6-26-33-28(20(2)36(26)21-9-10-24-25(19-21)39-18-17-38-24)29(37)32-11-5-12-34-13-15-35(16-14-34)23-8-4-7-22(30)27(23)31;;;;/h4,7-10,19H,3,5-6,11-18H2,1-2H3,(H,32,37);4*1H
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| InChIKey |
VCZFGLQXQHGRMA-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