General Information of the Compound
| Compound ID |
CP0003400
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| Compound Name |
4-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
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| Structure |
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| Formula |
C17H17FN4OS
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| Molecular Weight |
344.415
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| Canonical SMILES |
Fc1cccc2sc(nc12)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C17H17FN4OS.ClH/c18-14-4-1-5-15-16(14)21-17(24-15)22-8-7-20-9-12(22)11-23-13-3-2-6-19-10-13;/h1-6,10,12,20H,7-9,11H2;1H
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| InChIKey |
ABWJEIIFONCFKT-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