General Information of the Compound
| Compound ID |
CP0511573
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| Compound Name |
6-(4-acetylphenyl)-7-(diethylamino)chromen-2-one
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C21H21NO3/c1-4-22(5-2)19-13-20-17(10-11-21(24)25-20)12-18(19)16-8-6-15(7-9-16)14(3)23/h6-13H,4-5H2,1-3H3
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| InChIKey |
QCMWAGHAMOJDTL-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