General Information of the Compound
| Compound ID |
CP0511571
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| Compound Name |
7-(diethylamino)-6-(4-nitrophenyl)chromen-2-one
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| Structure |
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| Formula |
C19H18N2O4
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| Molecular Weight |
338.363
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| Canonical SMILES |
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H18N2O4/c1-3-20(4-2)17-12-18-14(7-10-19(22)25-18)11-16(17)13-5-8-15(9-6-13)21(23)24/h5-12H,3-4H2,1-2H3
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| InChIKey |
XFRTYNYJWIERRS-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