General Information of the Compound
| Compound ID |
CP0852964
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| Compound Name |
3-{3-[4-(4-Chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C24H27ClFN3O4
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| Molecular Weight |
475.948
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| Canonical SMILES |
CC1(c2ccc(F)cc2)NC(=O)N(CC(O)CN2CCC(Oc3ccc(Cl)cc3)CC2)C1=O
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| InChI |
InChI=1S/C24H27ClFN3O4/c1-24(16-2-6-18(26)7-3-16)22(31)29(23(32)27-24)15-19(30)14-28-12-10-21(11-13-28)33-20-8-4-17(25)5-9-20/h2-9,19,21,30H,10-15H2,1H3,(H,27,32)
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| InChIKey |
LIMXTEILSDCZAA-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