General Information of the Compound
| Compound ID |
CP0449653
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| Compound Name |
1-Benzyl-2-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
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| Structure |
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| Formula |
C21H22ClN3
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| Molecular Weight |
351.881
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)C1CCCCN1Cc1ccccc1
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| InChI |
InChI=1S/C21H22ClN3/c22-18-11-9-17(10-12-18)19-14-20(24-23-19)21-8-4-5-13-25(21)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,21H,4-5,8,13,15H2,(H,23,24)
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| InChIKey |
HZAQPOKTYPPOTH-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