General Information of the Compound
| Compound ID |
CP0531248
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| Compound Name |
5-(5-pyridin-4-ylthiophen-2-yl)-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C17H11NO2S
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| Molecular Weight |
293.347
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| Canonical SMILES |
O=C1OCc2cc(ccc12)-c1ccc(s1)-c1ccncc1
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| InChI |
InChI=1S/C17H11NO2S/c19-17-14-2-1-12(9-13(14)10-20-17)16-4-3-15(21-16)11-5-7-18-8-6-11/h1-9H,10H2
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| InChIKey |
ZXWNSNDAIYJWIF-UHFFFAOYSA-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