General Information of the Compound
| Compound ID |
CP0485706
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| Compound Name |
5-(2-oxochromen-6-yl)-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C14H8N2O2
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| Molecular Weight |
236.23
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| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc([nH]1)C#N
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| InChI |
InChI=1S/C14H8N2O2/c15-8-11-3-4-12(16-11)9-1-5-13-10(7-9)2-6-14(17)18-13/h1-7,16H
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| InChIKey |
TUKRWKJJSRKXRW-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