General Information of the Compound
| Compound ID |
CP0875459
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| Compound Name |
5,7-diacetoxy-8-(3-methyl-2-butenyl)coumarin
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| Structure |
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| Formula |
C18H18O6
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| Molecular Weight |
330.336
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| Canonical SMILES |
CC(=O)Oc1cc(OC(C)=O)c2ccc(=O)oc2c1CC=C(C)C
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| InChI |
InChI=1S/C18H18O6/c1-10(2)5-6-13-15(22-11(3)19)9-16(23-12(4)20)14-7-8-17(21)24-18(13)14/h5,7-9H,6H2,1-4H3
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| InChIKey |
LHDJBZLGXJRNPO-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