General Information of the Compound
| Compound ID |
CP0875091
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| Compound Name |
1-(4-Chlorophenyl)-N-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propyl)-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C26H35Cl8N5O
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| Molecular Weight |
717.224
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| Canonical SMILES |
CCCc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cn1-c1ccc(Cl)cc1.Cl.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C26H30Cl3N5O.5ClH/c1-2-5-24-31-22(18-34(24)20-10-8-19(27)9-11-20)26(35)30-12-4-13-32-14-16-33(17-15-32)23-7-3-6-21(28)25(23)29;;;;;/h3,6-11,18H,2,4-5,12-17H2,1H3,(H,30,35);5*1H
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| InChIKey |
FTGOEZGULLSYCF-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