General Information of the Compound
| Compound ID |
CP0422968
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| Compound Name |
(Z)-1-((1H-Pyrrol-2-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 |
C13H10N2O2S
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| Molecular Weight |
258.302
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| Canonical SMILES |
Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1ccc[nH]1
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| InChI |
InChI=1S/C13H10N2O2S/c1-7-5-9-10(6-8-3-2-4-14-8)17-13(16)11(9)12(18)15-7/h2-6,14H,1H3,(H,15,18)/b10-6-
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| InChIKey |
IHBDZZYNKNBGFE-POHAHGRESA-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