General Information of the Compound
| Compound ID |
CP0871163
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| Compound Name |
N-(3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(4-methoxyphenyl)-5-methyl-2-phenyl-1H-imidazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C33H41Cl2N5O3
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| Molecular Weight |
626.629
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| Canonical SMILES |
COc1ccc(-n2c(-c3ccccc3)nc(C(=O)NCC(O)CN3CCN(c4cccc(C)c4C)CC3)c2C)cc1.Cl.Cl
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| InChI |
InChI=1S/C33H39N5O3.2ClH/c1-23-9-8-12-30(24(23)2)37-19-17-36(18-20-37)22-28(39)21-34-33(40)31-25(3)38(27-13-15-29(41-4)16-14-27)32(35-31)26-10-6-5-7-11-26;;/h5-16,28,39H,17-22H2,1-4H3,(H,34,40);2*1H
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| InChIKey |
KEZOYKSAZRTJCI-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