General Information of the Compound
| Compound ID |
CP0374265
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| Compound Name |
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-cyclohexylmethyl-piperidine
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| Structure |
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| Formula |
C21H28ClN3
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| Molecular Weight |
357.929
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC2CCCCC2)CC1
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| InChI |
InChI=1S/C21H28ClN3/c22-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-25(13-11-18)15-16-4-2-1-3-5-16/h6-9,14,16,18H,1-5,10-13,15H2,(H,23,24)
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| InChIKey |
GTMVYXIUBGBXAW-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