General Information of the Compound
| Compound ID |
CP0500872
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| Compound Name |
(3Z)-1-[(4-methoxyphenyl)methyl]-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 |
C25H21NO4S
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| Molecular Weight |
431.513
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| Canonical SMILES |
COc1ccc(CN2CC\C(=C\c3ccc(s3)-c3ccc4C(=O)OCc4c3)C2=O)cc1
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| InChI |
InChI=1S/C25H21NO4S/c1-29-20-5-2-16(3-6-20)14-26-11-10-18(24(26)27)13-21-7-9-23(31-21)17-4-8-22-19(12-17)15-30-25(22)28/h2-9,12-13H,10-11,14-15H2,1H3/b18-13-
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| InChIKey |
VUGMTXLOCMZGTO-AQTBWJFISA-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