General Information of the Compound
| Compound ID |
CP0468886
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| Compound Name |
3-(1-cyclooctyl-3-oxobutyl)-4-hydroxychromen-2-one
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| Structure |
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| Formula |
C21H26O4
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| Molecular Weight |
342.435
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| Canonical SMILES |
CC(=O)CC(C1CCCCCCC1)c1c(O)c2ccccc2oc1=O
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| InChI |
InChI=1S/C21H26O4/c1-14(22)13-17(15-9-5-3-2-4-6-10-15)19-20(23)16-11-7-8-12-18(16)25-21(19)24/h7-8,11-12,15,17,23H,2-6,9-10,13H2,1H3
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| InChIKey |
GYGPNWSMDBCPED-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