General Information of the Compound
| Compound ID |
CP0543638
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| Compound Name |
2-(4,8-dimethyl-2-oxo-7-propoxychromen-3-yl)acetic acid
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| Structure |
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| Formula |
C16H18O5
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| Molecular Weight |
290.315
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| Canonical SMILES |
CCCOc1ccc2c(C)c(CC(O)=O)c(=O)oc2c1C
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| InChI |
InChI=1S/C16H18O5/c1-4-7-20-13-6-5-11-9(2)12(8-14(17)18)16(19)21-15(11)10(13)3/h5-6H,4,7-8H2,1-3H3,(H,17,18)
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| InChIKey |
XINURALAQUCABZ-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