General Information of the Compound
| Compound ID |
CP0548044
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| Compound Name |
5-(4-bromophenyl)-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-methylimidazolidine-2,4-dione;hydrochloride
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| Structure |
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| Formula |
C24H30BrClN4O4
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| Molecular Weight |
553.885
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(Br)cc2)CC1
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| InChI |
InChI=1S/C24H29BrN4O4.ClH/c1-24(17-7-9-18(25)10-8-17)22(31)29(23(32)26-24)16-19(30)15-27-11-13-28(14-12-27)20-5-3-4-6-21(20)33-2;/h3-10,19,30H,11-16H2,1-2H3,(H,26,32);1H
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| InChIKey |
QNSVOLGUFQMXHX-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor