General Information of the Compound
| Compound ID |
CP0904461
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| Compound Name |
N-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)-5-methyl-1-phenyl-2-propyl-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 |
CCCc1nc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C26H31Cl2N5O.4ClH/c1-3-8-23-30-25(19(2)33(23)20-9-5-4-6-10-20)26(34)29-13-14-31-15-17-32(18-16-31)22-12-7-11-21(27)24(22)28;;;;/h4-7,9-12H,3,8,13-18H2,1-2H3,(H,29,34);4*1H
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| InChIKey |
NUTMGKBJAOIBHX-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