General Information of the Compound
| Compound ID |
CP0875066
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| Compound Name |
1-(4-Chlorophenyl)-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H41Cl4N5O2
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| Molecular Weight |
633.492
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| Canonical SMILES |
CCCc1nc(C(=O)NCC(O)CN2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(Cl)cc1.Cl.Cl.Cl
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| InChI |
InChI=1S/C29H38ClN5O2.3ClH/c1-5-7-27-32-28(22(4)35(27)24-12-10-23(30)11-13-24)29(37)31-18-25(36)19-33-14-16-34(17-15-33)26-9-6-8-20(2)21(26)3;;;/h6,8-13,25,36H,5,7,14-19H2,1-4H3,(H,31,37);3*1H
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| InChIKey |
XNWJMMGPMVYPNQ-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