General Information of the Compound
| Compound ID |
CP0443660
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| Compound Name |
5-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1,3-benzothiazole
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| Structure |
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| Formula |
C20H21Cl2N3OS
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| Molecular Weight |
422.381
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C20H21Cl2N3OS/c21-16-3-1-4-18(20(16)22)25-10-8-24(9-11-25)7-2-12-26-15-5-6-19-17(13-15)23-14-27-19/h1,3-6,13-14H,2,7-12H2
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| InChIKey |
VBHBKXBUHHJVBZ-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
Cell-based Assay