General Information of the Compound
Compound ID |
CP0068080
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Compound Name |
2-Adamantan-1-yl-6-(2-hydroxy-acetyl)-chromen-4-one
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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 |
OCC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
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InChI |
InChI=1S/C21H22O4/c22-11-18(24)15-1-2-19-16(6-15)17(23)7-20(25-19)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14,22H,3-5,8-11H2
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InChIKey |
KXXPMHOHUVPBCA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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