General Information of the Compound
| Compound ID |
CP0576805
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| Compound Name |
[(7S)-1-(hydroxymethyl)-6,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-7-yl] acetate
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| Structure |
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| Formula |
C21H20O6
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| Molecular Weight |
368.385
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| Canonical SMILES |
CC(=O)O[C@H]1CCc2c(ccc3-c4occ(CO)c4C(=O)C(=O)c23)C1(C)C
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| InChI |
InChI=1S/C21H20O6/c1-10(23)27-15-7-5-12-14(21(15,2)3)6-4-13-17(12)19(25)18(24)16-11(8-22)9-26-20(13)16/h4,6,9,15,22H,5,7-8H2,1-3H3/t15-/m0/s1
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| InChIKey |
IIKBEPVPOUPRPM-HNNXBMFYSA-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