General Information of the Compound
| Compound ID |
CP0383198
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| Compound Name |
3-[4-(5-Methyl-2-oxo-4-phenyl-2,3-dihydro-imidazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
Cc1c([nH]c(=O)n1C1CCN(Cc2cccc(c2)C#N)CC1)-c1ccccc1
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| InChI |
InChI=1S/C23H24N4O/c1-17-22(20-8-3-2-4-9-20)25-23(28)27(17)21-10-12-26(13-11-21)16-19-7-5-6-18(14-19)15-24/h2-9,14,21H,10-13,16H2,1H3,(H,25,28)
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| InChIKey |
JLSSZJJVQVSQHQ-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
Protein ID: PT01161, D(4) dopamine receptor