General Information of the Compound
| Compound ID |
CP0852995
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)propyl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C27H37Cl2N5O
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| Molecular Weight |
518.533
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(-c4ccccc4)c3C)CC2)c1C.Cl.Cl
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| InChI |
InChI=1S/C27H35N5O.2ClH/c1-20-10-8-13-25(21(20)2)31-18-16-30(17-19-31)15-9-14-28-27(33)26-22(3)32(23(4)29-26)24-11-6-5-7-12-24;;/h5-8,10-13H,9,14-19H2,1-4H3,(H,28,33);2*1H
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| InChIKey |
SVYQLZGVECCISN-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