General Information of the Compound
| Compound ID |
CP0514524
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| Compound Name |
5-(2-oxochromen-6-yl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C14H7NO2S
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| Molecular Weight |
253.282
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| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc(s1)C#N
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| InChI |
InChI=1S/C14H7NO2S/c15-8-11-3-5-13(18-11)10-1-4-12-9(7-10)2-6-14(16)17-12/h1-7H
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| InChIKey |
ZEYFTTUHHCBVJF-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