General Information of the Compound
| Compound ID |
CP0466990
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| Compound Name |
3-(3-hydroxy-4-methoxyphenyl)isochromen-1-one
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| Structure |
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| Formula |
C16H12O4
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| Molecular Weight |
268.268
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| Canonical SMILES |
COc1ccc(cc1O)-c1cc2ccccc2c(=O)o1
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| InChI |
InChI=1S/C16H12O4/c1-19-14-7-6-11(8-13(14)17)15-9-10-4-2-3-5-12(10)16(18)20-15/h2-9,17H,1H3
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| InChIKey |
OOBRTSHYEQQIKW-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