General Information of the Compound
| Compound ID |
CP0857566
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-1-(4-methoxyphenyl)-2-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C32H39Cl2N5O2
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| Molecular Weight |
596.603
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| Canonical SMILES |
COc1ccc(-n2cc(C(=O)NCCCN3CCN(c4cccc(C)c4C)CC3)nc2-c2ccccc2)cc1.Cl.Cl
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| InChI |
InChI=1S/C32H37N5O2.2ClH/c1-24-9-7-12-30(25(24)2)36-21-19-35(20-22-36)18-8-17-33-32(38)29-23-37(27-13-15-28(39-3)16-14-27)31(34-29)26-10-5-4-6-11-26;;/h4-7,9-16,23H,8,17-22H2,1-3H3,(H,33,38);2*1H
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| InChIKey |
RZEPNQXMLMYOMR-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