General Information of the Compound
| Compound ID |
CP0192825
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| Compound Name |
1-(4-Chlorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
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| Structure |
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| Formula |
C20H21ClN4
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| Molecular Weight |
352.869
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C20H21ClN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2
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| InChIKey |
VRWKFSXVIDXVMV-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