General Information of the Compound
| Compound ID |
CP0476107
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| Compound Name |
3-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
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| Structure |
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| Formula |
C31H37ClN4O4
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| Molecular Weight |
565.114
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| Canonical SMILES |
Cl.COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
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| InChI |
InChI=1S/C31H36N4O4.ClH/c1-31(25-13-15-27(39-2)16-14-25)29(37)35(30(38)32-31)22-26(36)21-33-17-19-34(20-18-33)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24;/h3-16,26,28,36H,17-22H2,1-2H3,(H,32,38);1H
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| InChIKey |
MALSJBCWTXGIHN-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