General Information of the Compound
| Compound ID |
CP0122652
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| Compound Name |
3-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C30H33FN4O3
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| Molecular Weight |
516.617
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| Canonical SMILES |
CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38)
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| InChIKey |
NPUZJIOVBIDKGO-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