General Information of the Compound
| Compound ID |
CP0051889
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| Compound Name |
1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
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| Structure |
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| Formula |
C21H24N4
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| Molecular Weight |
332.451
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)c2ccccc2)cnn1-c1ccccc1
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| InChI |
InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3
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| InChIKey |
VFZKZZYPGOBKJY-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
Protein ID: PT04361, Protein smoothened