General Information of the Compound
| Compound ID |
CP0132984
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| Compound Name |
(2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-oxo-acetic acid
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| Structure |
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| Formula |
C21H20O5
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| Molecular Weight |
352.386
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| Canonical SMILES |
OC(=O)C(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H20O5/c22-16-7-18(21-8-11-3-12(9-21)5-13(4-11)10-21)26-17-2-1-14(6-15(16)17)19(23)20(24)25/h1-2,6-7,11-13H,3-5,8-10H2,(H,24,25)
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| InChIKey |
PRIGHHNDCZSRTA-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