General Information of the Compound
| Compound ID |
CP0458905
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| Compound Name |
4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracene-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C16H12O5
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| Molecular Weight |
284.267
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| Canonical SMILES |
COC(=O)c1cc(O)c2C(=O)c3c(O)cccc3Cc2c1
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| InChI |
InChI=1S/C16H12O5/c1-21-16(20)10-6-9-5-8-3-2-4-11(17)13(8)15(19)14(9)12(18)7-10/h2-4,6-7,17-18H,5H2,1H3
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| InChIKey |
VTHVBLVARLLTDT-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