General Information of the Compound
| Compound ID |
CP0853988
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| Compound Name |
3-[3-(4-Benzoylpiperazin-1-yl)-2-hydroxypropyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C24H27FN4O4
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| Molecular Weight |
454.502
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| Canonical SMILES |
CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCN(C(=O)c3ccccc3)CC2)C1=O
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| InChI |
InChI=1S/C24H27FN4O4/c1-24(18-7-9-19(25)10-8-18)22(32)29(23(33)26-24)16-20(30)15-27-11-13-28(14-12-27)21(31)17-5-3-2-4-6-17/h2-10,20,30H,11-16H2,1H3,(H,26,33)
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| InChIKey |
IQEKWTUDUCNREQ-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