General Information of the Compound
| Compound ID |
CP0463242
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| Compound Name |
1-[2-(5-Bromo-2-methoxy-phenyl)-thiazol-4-ylmethyl]-4-phenyl-piperazine
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| Structure |
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| Formula |
C21H22BrN3OS
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| Molecular Weight |
444.398
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| Canonical SMILES |
COc1ccc(Br)cc1-c1nc(CN2CCN(CC2)c2ccccc2)cs1
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| InChI |
InChI=1S/C21H22BrN3OS/c1-26-20-8-7-16(22)13-19(20)21-23-17(15-27-21)14-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13,15H,9-12,14H2,1H3
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| InChIKey |
IOPFZPQJWJQACY-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