General Information of the Compound
| Compound ID |
CP0526215
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| Compound Name |
(Z)-6-Methyl-4-thioxo-1-(4-(trifluoromethyl)benzylidene)-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
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| Structure |
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| Formula |
C16H10F3NO2S
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| Molecular Weight |
337.322
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| Canonical SMILES |
Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H10F3NO2S/c1-8-6-11-12(22-15(21)13(11)14(23)20-8)7-9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,20,23)/b12-7-
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| InChIKey |
UBHRYVVGJVAFCU-GHXNOFRVSA-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