General Information of the Compound
| Compound ID |
CP0871052
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-1-(4-fluorophenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C32H38Cl2FN5O
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| Molecular Weight |
598.594
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4ccccc4)n(-c4ccc(F)cc4)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C32H36FN5O.2ClH/c1-23-9-7-12-29(24(23)2)37-21-19-36(20-22-37)18-8-17-34-32(39)30-25(3)38(28-15-13-27(33)14-16-28)31(35-30)26-10-5-4-6-11-26;;/h4-7,9-16H,8,17-22H2,1-3H3,(H,34,39);2*1H
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| InChIKey |
UFRTWRKBDQMEBQ-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