General Information of the Compound
| Compound ID |
CP0154936
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| Compound Name |
6-fluoro-2-[(5-methoxypyridin-3-yl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
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| Structure |
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| Formula |
C18H17FN2OS
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| Molecular Weight |
328.412
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| Canonical SMILES |
COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
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| InChI |
InChI=1S/C18H17FN2OS/c1-22-14-6-12(8-20-9-14)10-21-5-4-15-16-7-13(19)2-3-17(16)23-18(15)11-21/h2-3,6-9H,4-5,10-11H2,1H3
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| InChIKey |
WFDGSFWIYOAXAE-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