General Information of the Compound
| Compound ID |
CP0387663
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| Compound Name |
4-(2-oxochromen-6-yl)benzonitrile
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| Structure |
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| Formula |
C16H9NO2
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| Molecular Weight |
247.253
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| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H9NO2/c17-10-11-1-3-12(4-2-11)13-5-7-15-14(9-13)6-8-16(18)19-15/h1-9H
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| InChIKey |
JBCWQDMKFTUORP-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