General Information of the Compound
| Compound ID |
CP0097602
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| Compound Name |
2-fluoro-5-[2-oxo-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C18H20F4N4O
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| Molecular Weight |
384.377
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| Canonical SMILES |
Fc1ccc(cc1C#N)N1CCN(CCN2CCC(CC2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C18H20F4N4O/c19-16-2-1-15(11-13(16)12-23)26-10-9-25(17(26)27)8-7-24-5-3-14(4-6-24)18(20,21)22/h1-2,11,14H,3-10H2
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| InChIKey |
HGYQVRAMBVYKQO-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