General Information of the Compound
| Compound ID |
CP0887876
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-2,5-dimethyl-1-(2-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C26H32Cl6F3N5O
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| Molecular Weight |
700.288
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| Canonical SMILES |
Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1C(F)(F)F.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C26H28Cl2F3N5O.4ClH/c1-17-24(33-18(2)36(17)21-9-4-3-7-19(21)26(29,30)31)25(37)32-11-6-12-34-13-15-35(16-14-34)22-10-5-8-20(27)23(22)28;;;;/h3-5,7-10H,6,11-16H2,1-2H3,(H,32,37);4*1H
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| InChIKey |
NWHNWKCRNKQQEQ-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