General Information of the Compound
| Compound ID |
CP0504070
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| Compound Name |
(3Z)-1-benzyl-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 |
C24H19NO3S
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| Molecular Weight |
401.487
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| Canonical SMILES |
O=C1OCc2cc(ccc12)-c1ccc(\C=C2\CCN(Cc3ccccc3)C2=O)s1
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| InChI |
InChI=1S/C24H19NO3S/c26-23-18(10-11-25(23)14-16-4-2-1-3-5-16)13-20-7-9-22(29-20)17-6-8-21-19(12-17)15-28-24(21)27/h1-9,12-13H,10-11,14-15H2/b18-13-
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| InChIKey |
QGHCFFJQOWWHKM-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