General Information of the Compound
| Compound ID |
CP0411721
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| Compound Name |
6-methyl-3-(3-nitrophenyl)chromen-2-one
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| Structure |
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| Formula |
C16H11NO4
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| Molecular Weight |
281.267
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| Canonical SMILES |
Cc1ccc2oc(=O)c(cc2c1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H11NO4/c1-10-5-6-15-12(7-10)9-14(16(18)21-15)11-3-2-4-13(8-11)17(19)20/h2-9H,1H3
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| InChIKey |
QHMFVFSWIUVIKQ-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