General Information of the Compound
| Compound ID |
CP0506670
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| Compound Name |
1-(3-Chloro-benzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
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| Structure |
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| Formula |
C22H24ClN3
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| Molecular Weight |
365.908
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| Canonical SMILES |
Cc1nn(cc1-c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C22H24ClN3/c1-17-22(19-7-3-2-4-8-19)16-26(24-17)21-10-12-25(13-11-21)15-18-6-5-9-20(23)14-18/h2-9,14,16,21H,10-13,15H2,1H3
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| InChIKey |
UGAZJRFHXXPSOK-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