General Information of the Compound
| Compound ID |
CP0393890
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| Compound Name |
1-Benzyl-4-[5-(4-chloro-phenyl)-4-ethyl-1H-pyrazol-3-yl]-piperidine
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| Structure |
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| Formula |
C23H26ClN3
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| Molecular Weight |
379.935
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| Canonical SMILES |
CCc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)
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| InChIKey |
GJUDGMHZQOXKJL-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