General Information of the Compound
| Compound ID |
CP0393889
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| Compound Name |
1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazol-5-yl]-piperidine
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| Structure |
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| Formula |
C21H20Cl2N2O
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| Molecular Weight |
387.31
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2
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| InChIKey |
BKCOTBJYDGSUFC-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