General Information of the Compound
| Compound ID |
CP0467696
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| Compound Name |
(Z)-1-((5-Fluoro-6-methoxy-1H-indol-3-yl)methylene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
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| Structure |
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| Formula |
C18H13FN2O3S
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| Molecular Weight |
356.378
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| Canonical SMILES |
COc1cc2[nH]c(\C=C3/OC(=O)c4c3cc(C)[nH]c4=S)cc2cc1F
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| InChI |
InChI=1S/C18H13FN2O3S/c1-8-3-11-14(24-18(22)16(11)17(25)20-8)6-10-4-9-5-12(19)15(23-2)7-13(9)21-10/h3-7,21H,1-2H3,(H,20,25)/b14-6-
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| InChIKey |
UAPBARAEGJAFRW-NSIKDUERSA-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