General Information of the Compound
| Compound ID |
CP0503199
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| Compound Name |
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]piperidin-2-one
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| Structure |
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| Formula |
C18H15NO3S
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| Molecular Weight |
325.389
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| Canonical SMILES |
O=C1OCc2cc(ccc12)-c1ccc(\C=C2\CCCNC2=O)s1
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| InChI |
InChI=1S/C18H15NO3S/c20-17-12(2-1-7-19-17)9-14-4-6-16(23-14)11-3-5-15-13(8-11)10-22-18(15)21/h3-6,8-9H,1-2,7,10H2,(H,19,20)/b12-9-
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| InChIKey |
ZUGVJPQAKLIXKW-XFXZXTDPSA-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