General Information of the Compound
| Compound ID |
CP0903877
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)propyl)-1-isobutyl-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C24H39Cl4N5O
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| Molecular Weight |
555.422
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(C)n(CC(C)C)c2C)CC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C24H36ClN5O.3ClH/c1-17(2)16-30-19(4)23(27-20(30)5)24(31)26-10-7-11-28-12-14-29(15-13-28)22-9-6-8-21(25)18(22)3;;;/h6,8-9,17H,7,10-16H2,1-5H3,(H,26,31);3*1H
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| InChIKey |
SWKGPRHMAJRBND-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