General Information of the Compound
| Compound ID |
CP0550379
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| Compound Name |
5-(cyclohexylmethyl)-3-[(4-nitrophenyl)methoxy]chromen-4-one
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| Structure |
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| Formula |
C23H23NO5
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| Molecular Weight |
393.439
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| Canonical SMILES |
[O-][N+](=O)c1ccc(COc2coc3cccc(CC4CCCCC4)c3c2=O)cc1
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| InChI |
InChI=1S/C23H23NO5/c25-23-21(28-14-17-9-11-19(12-10-17)24(26)27)15-29-20-8-4-7-18(22(20)23)13-16-5-2-1-3-6-16/h4,7-12,15-16H,1-3,5-6,13-14H2
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| InChIKey |
QRVMQUQEEDSDEI-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