General Information of the Compound
| Compound ID |
CP0420812
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| Compound Name |
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-4-methyl-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 |
CC1(CCN(Cc2ccccc2)CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H24ClN3/c1-22(11-13-26(14-12-22)16-17-5-3-2-4-6-17)21-15-20(24-25-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25)
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| InChIKey |
UOIRCOOXVJGCIE-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