General Information of the Compound
| Compound ID |
CP0517436
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| Compound Name |
(Z)-6-Methyl-1-(4-(methylthio)benzylidene)-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
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| Structure |
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| Formula |
C16H13NO2S2
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| Molecular Weight |
315.419
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| Canonical SMILES |
CSc1ccc(\C=C2/OC(=O)c3c2cc(C)[nH]c3=S)cc1
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| InChI |
InChI=1S/C16H13NO2S2/c1-9-7-12-13(19-16(18)14(12)15(20)17-9)8-10-3-5-11(21-2)6-4-10/h3-8H,1-2H3,(H,17,20)/b13-8-
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| InChIKey |
AYAGVBNSBFUJBF-JYRVWZFOSA-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