General Information of the Compound
| Compound ID |
CP0858684
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-1-(4-methoxyphenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C31H37Cl6N5O2
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| Molecular Weight |
724.388
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| Canonical SMILES |
COc1ccc(-n2c(-c3ccccc3)nc(C(=O)NCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2C)cc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C31H33Cl2N5O2.4ClH/c1-22-29(35-30(23-8-4-3-5-9-23)38(22)24-12-14-25(40-2)15-13-24)31(39)34-16-7-17-36-18-20-37(21-19-36)27-11-6-10-26(32)28(27)33;;;;/h3-6,8-15H,7,16-21H2,1-2H3,(H,34,39);4*1H
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| InChIKey |
VLBTWFRVOWYSPD-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