General Information of the Compound
| Compound ID |
CP0461099
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| Compound Name |
1,8-Dihydroxy-3-hydroxymethyl-10H-anthracen-9-one
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| Structure |
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| Formula |
C15H12O4
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| Molecular Weight |
256.257
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| Canonical SMILES |
OCc1cc(O)c2C(=O)c3c(O)cccc3Cc2c1
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| InChI |
InChI=1S/C15H12O4/c16-7-8-4-10-6-9-2-1-3-11(17)13(9)15(19)14(10)12(18)5-8/h1-5,16-18H,6-7H2
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| InChIKey |
AVZIASIVCYCZND-UHFFFAOYSA-N
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| CAS |
6247-99-0
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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