General Information of the Compound
| Compound ID |
CP0543639
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| Compound Name |
3-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid
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| Structure |
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| Formula |
C21H19BrO5
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| Molecular Weight |
431.282
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| Canonical SMILES |
Cc1c(OCc2cccc(Br)c2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
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| InChI |
InChI=1S/C21H19BrO5/c1-12-16-6-8-18(26-11-14-4-3-5-15(22)10-14)13(2)20(16)27-21(25)17(12)7-9-19(23)24/h3-6,8,10H,7,9,11H2,1-2H3,(H,23,24)
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| InChIKey |
GSMOQRRLFJNESJ-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