General Information of the Compound
| Compound ID |
CP0871028
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(4-methoxyphenyl)-5-methyl-2-propyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C30H43Cl2N5O3
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| Molecular Weight |
592.612
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| Canonical SMILES |
CCCc1nc(C(=O)NCC(O)CN2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(OC)cc1.Cl.Cl
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| InChI |
InChI=1S/C30H41N5O3.2ClH/c1-6-8-28-32-29(23(4)35(28)24-11-13-26(38-5)14-12-24)30(37)31-19-25(36)20-33-15-17-34(18-16-33)27-10-7-9-21(2)22(27)3;;/h7,9-14,25,36H,6,8,15-20H2,1-5H3,(H,31,37);2*1H
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| InChIKey |
WNWCRDAUDPBIJU-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