General Information of the Compound
| Compound ID |
CP0436906
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| Compound Name |
2-[1-(3-Chloro-benzyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-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 |
Clc1cccc(CN2CCC(=CC2)c2nc3ccccc3s2)c1
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| InChI |
InChI=1S/C19H17ClN2S/c20-16-5-3-4-14(12-16)13-22-10-8-15(9-11-22)19-21-17-6-1-2-7-18(17)23-19/h1-8,12H,9-11,13H2
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| InChIKey |
OYONXBYXNCMUFL-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