General Information of the Compound
| Compound ID |
CP0461926
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| Compound Name |
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
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| Structure |
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| Formula |
C17H13NO3S
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| Molecular Weight |
311.362
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| Canonical SMILES |
O=C1NCC\C1=C\c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C17H13NO3S/c19-16-11(5-6-18-16)8-13-2-4-15(22-13)10-1-3-14-12(7-10)9-21-17(14)20/h1-4,7-8H,5-6,9H2,(H,18,19)/b11-8-
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| InChIKey |
QRBSMMIDEZETBB-FLIBITNWSA-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