General Information of the Compound
| Compound ID |
CP0853009
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| Compound Name |
1-(3,4-Dimethoxyphenyl)-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C29H41Cl2N5O4
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| Molecular Weight |
594.584
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| Canonical SMILES |
COc1ccc(-n2c(C)nc(C(=O)NCC(O)CN3CCN(c4cccc(C)c4C)CC3)c2C)cc1OC.Cl.Cl
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| InChI |
InChI=1S/C29H39N5O4.2ClH/c1-19-8-7-9-25(20(19)2)33-14-12-32(13-15-33)18-24(35)17-30-29(36)28-21(3)34(22(4)31-28)23-10-11-26(37-5)27(16-23)38-6;;/h7-11,16,24,35H,12-15,17-18H2,1-6H3,(H,30,36);2*1H
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| InChIKey |
PODZZNQVHOQILO-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