General Information of the Compound
| Compound ID |
CP0484578
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| Compound Name |
2-(1-Benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-chloro-benzothiazole
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| Structure |
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| Formula |
C19H17ClN2S
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| Molecular Weight |
340.879
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| Canonical SMILES |
Clc1ccc2sc(nc2c1)C1=CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C19H17ClN2S/c20-16-6-7-18-17(12-16)21-19(23-18)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14/h1-8,12H,9-11,13H2
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| InChIKey |
ZDICBICTFYTIFR-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