General Information of the Compound
| Compound ID |
CP0068081
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| Compound Name |
2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic acid methyl ester
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| Structure |
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| Formula |
C21H22O4
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| Molecular Weight |
338.403
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| Canonical SMILES |
COC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H22O4/c1-24-20(23)15-2-3-18-16(7-15)17(22)8-19(25-18)21-9-12-4-13(10-21)6-14(5-12)11-21/h2-3,7-8,12-14H,4-6,9-11H2,1H3
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| InChIKey |
HYOJJXADACTQIE-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