General Information of the Compound
| Compound ID |
CP0853000
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| Compound Name |
N-(3-(4-(3-Chloro-2-methylphenyl)piperazin-1-yl)propyl)-1-(2-chlorophenyl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C26H35Cl6N5O
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| Molecular Weight |
646.318
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(C)n(-c3ccccc3Cl)c2C)CC1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C26H31Cl2N5O.4ClH/c1-18-21(27)9-6-11-23(18)32-16-14-31(15-17-32)13-7-12-29-26(34)25-19(2)33(20(3)30-25)24-10-5-4-8-22(24)28;;;;/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34);4*1H
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| InChIKey |
DRBJQVSARVVSFS-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