General Information of the Compound
| Compound ID |
CP0191648
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| Compound Name |
1-(3-iodophenyl)-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
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| Structure |
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| Formula |
C17H21F3IN3O
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| Molecular Weight |
467.273
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| Canonical SMILES |
FC(F)(F)C1CCN(CCN2CCN(C2=O)c2cccc(I)c2)CC1
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| InChI |
InChI=1S/C17H21F3IN3O/c18-17(19,20)13-4-6-22(7-5-13)8-9-23-10-11-24(16(23)25)15-3-1-2-14(21)12-15/h1-3,12-13H,4-11H2
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| InChIKey |
XZXRXUCWJOQZBL-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor