General Information of the Compound
| Compound ID |
CP0189186
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| Compound Name |
2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
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| Structure |
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| Formula |
C18H16BrFN2OS
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| Molecular Weight |
407.308
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| Canonical SMILES |
Fc1ccc(Br)c(OC2CCN(CC2)c2nc3ccccc3s2)c1
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| InChI |
InChI=1S/C18H16BrFN2OS/c19-14-6-5-12(20)11-16(14)23-13-7-9-22(10-8-13)18-21-15-3-1-2-4-17(15)24-18/h1-6,11,13H,7-10H2
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| InChIKey |
HQZYPXRPDCWUAU-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