General Information of the Compound
| Compound ID |
CP0486112
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| Compound Name |
1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracene-2-carbonitrile
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| Structure |
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| Formula |
C15H9NO3
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| Molecular Weight |
251.241
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| Canonical SMILES |
Oc1cccc2Cc3ccc(C#N)c(O)c3C(=O)c12
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| InChI |
InChI=1S/C15H9NO3/c16-7-10-5-4-9-6-8-2-1-3-11(17)12(8)15(19)13(9)14(10)18/h1-5,17-18H,6H2
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| InChIKey |
FTGWAUKCOUBGBU-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