General Information of the Compound
| Compound ID |
CP0578083
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| Compound Name |
9-bromo-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
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| Structure |
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| Formula |
C19H17BrO3
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| Molecular Weight |
373.246
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| Canonical SMILES |
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1C(Br)CCC2(C)C
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| InChI |
InChI=1S/C19H17BrO3/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12H,6-7H2,1-3H3
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| InChIKey |
QMRZPZKSYYANCE-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